Risperidone
A second-generation atypical antipsychotic used for the treatment of schizophrenia, bipolar I disorder-associated manic or mixed episodes, and irritability associated with autistic disorder. Risperidone primarily antagonizes dopamine D₂ and serotonin 5-HT₂A receptors and also exhibits affinity for α₁-adrenergic and histamine H₁ receptors. Its major active metabolite is paliperidone (9-hydroxyrisperidone)
CAS Number: 106266-06-2
Molecular Mass: 410.5 g/mol
Formula: C23H27FN4O2
Smiles: Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
Synonymes:
Risperidone, risperidone, 106266-06-2, Risperdal, Risperdal Consta, Rispolept, Rispolin, Risperin, Sequinan, Risperidona, Risperidal M-Tab, Risperidonum, Risperdal M-Tab, Spiron, R 64 766, Perseris, R-64766, RISVAN, RYKINDO, UZEDY, R 64766, R 64,766, DTXSID8045193, L6UH7ZF8HC, NSC-759895, R-64,766, R-64-766, N05AX08, RCN3028, RCN-3028, LY-03004, CHEBI:8871, DTXCID6025193, 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-, Consta, Risperdal, 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-2-methyl-, 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-, Risperdal M, Risperdal quicklet, Risperidone M-tab, R64766, 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydropyrido(2,1-b)pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one, R64,766, PERSERIS KIT, RefChem:6202, Risperdal Consta Long Acting, Rykindo extended-release microspheres, Risperidal, Apexidone, MFCD00274576, Belivon, Psychodal, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, Risperidone impurity K, CHEMBL85, Risperidonum [Latin], Risperidona [Spanish], 3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, NCGC00015883-05, CAS-106266-06-2, 3-{2-[4-(6-FLUORO-BENZO[D]ISOXAZOL-3-YL)-PIPERIDIN-1-YL]-ETHYL}-2-METHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, Zophrenal, Risperdal (TN), 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 3-{2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl}-6,7,8,9-tetrahydro-2-methylpyrido[1,2-a]pyrimidin-4-one, SMR000466323, SR-01000075399, UNII-L6UH7ZF8HC, BRN 4891881, Relday, Rispen, Okedi, Risperdal, , Belivon, , Risperidone CRS, Risperidone-ISM, HSDB 7580, Risperidone???, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, Risperidone [USAN:USP:INN:BAN], Risperidone, 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl- (9CI), 1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv., R 64766, Risperdal, Spiron, 106266-06-2 (free base), 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one, KS-1106, Risperidone (Standard), Risperidone (Risperdal), Lopac-R-118, RISPERIDONE [MI], Prestwick0_001029, Prestwick1_001029, RISPERIDONE [INN], RISPERIDONE [JAN], RISPERIDONE [HSDB], RISPERIDONE [USAN], GTPL96, RISPERIDONE [VANDF], RISPERIDONE [MART.], Risperidone(R 64 766), Risperidone Impurity Standard, SCHEMBL27911, RISPERIDONE [USP-RS], RISPERIDONE [WHO-DD], MLS000759429, MLS001165758, MLS001424081, US8802672, Risperidone, BIDD:GT0262, R 62 766, SPBio_003078, orb1310697, orb3141215, SCHEMBL3146202, Risperidone (JP18/USP/INN), Risperidone - Bio-X trade mark, SCHEMBL29392548, Risperidone, 1mg/ml in Methanol, RISPERIDONE [EP IMPURITY], RISPERIDONE [ORANGE BOOK], GLXC-06632, HMS1571M19, HMS2051H07, HMS2089C22, HMS2098M19, HMS2233O11, HMS3373M18, HMS3393H07, HMS3657G13, HMS3715M19, HMS3753M15, HMS3887G15, HMS5087G17, Pharmakon1600-01506038, RISPERIDONE [EP MONOGRAPH], RISPERIDONE [USP IMPURITY], RISPERIDONE [USP MONOGRAPH], ALBB-038668, MSK10162, Risperidone 1.0 mg/ml in Methanol, Tox21_110253, BDBM50001885, CP-018, EBC-13572, HB1740, HY-11018R, NSC759895, NSC786035, NSC801188, s1615, STK646402, AKOS005577302, Risperidone for system suitability CRS, Tox21_110253_1, AC-1306, CCG-100930, CS-1619, DB00734, FR27737, LY03004, NC00180, NSC 759895, NSC-786035, NSC-801188, PB26023, Risperidone, >=98% (HPLC), powder, NCGC00015883-01, NCGC00015883-02, NCGC00015883-03, NCGC00015883-04, NCGC00015883-06, NCGC00015883-07, NCGC00015883-08, NCGC00015883-11, NCGC00094352-01, NCGC00094352-02, NCGC00094352-03, NCGC00179257-01, 1026102-43-1, 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperi-dino]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]-pyrimidin-4-one, 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, BR164349, HY-11018, SY051250, AB00514010, EU-0101074, NS00000033, R0087, SW197348-4, D00426, EN300-117259, AB00514010-09, AB00514010-11, AB00514010-12, AB00514010_13, AB00514010_14, F036563, L000510, Q412443, SR-01000075399-2, SR-01000075399-8, BRD-K53857191-001-04-5, BRD-K53857191-001-10-2, BRD-K53857191-001-21-9, BRD-K53857191-001-22-7, Z1501480428, Risperidone, British Pharmacopoeia (BP) Reference Standard, Risperidone, European Pharmacopoeia (EP) Reference Standard, Risperidone, United States Pharmacopeia (USP) Reference Standard, Risperidone, Pharmaceutical Secondary Standard, Certified Reference Material, Risperidone for system suitability, European Pharmacopoeia (EP) Reference Standard, (risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one, 2-(2-(4-(benzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-7,8,9,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidin-4(6H)-one, 2-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-6,7,8,8a-tetrahydro-5H-naphthalen-1-one, 3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 3-[2-[4(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6 fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro- 1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidiny]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one, 3-{2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-ethyl}- 6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimid-in-4-one, 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (Resperidone), 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (risperidone), 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one(risperidone), 3-{2-[4-(6-fluorobenzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benz-isoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-, 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-methyl-1,3-dihydro-indol-2-one(Norastemizole)
Bioactivity: Atypical antipsychotic; dopamine D₂ and serotonin 5-HT₂A receptor antagonist
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 278.15 | - | 6.922 | [56] |
| 1-Butanol | 278.15 | - | 6.557 | [58] |
| 1-Butanol | 283.15 | - | 7.844 | [56] |
| 1-Butanol | 283.15 | - | 8.28 | [58] |
| 1-Butanol | 288.15 | - | 9.93 | [56] |
| 1-Butanol | 288.15 | - | 10.14 | [58] |
| 1-Butanol | 293.15 | - | 11.82 | [56] |
| 1-Butanol | 293.15 | - | 13.1 | [58] |
| 1-Butanol | 298.15 | - | 15.54 | [56] |
| 1-Butanol | 298.15 | - | 16.49 | [58] |
| 1-Butanol | 303.15 | - | 19.75 | [56] |
| 1-Butanol | 303.15 | - | 21.37 | [58] |
| 1-Butanol | 308.15 | - | 26.37 | [56] |
| 1-Butanol | 308.15 | - | 27.61 | [58] |
| 1-Butanol | 313.15 | - | 33.38 | [56] |
| 1-Butanol | 313.15 | - | 35.12 | [58] |
| 1-Butanol | 318.15 | - | 42.57 | [56] |
| 1-Butanol | 323.15 | - | 54.75 | [56] |
| 1-Propanol | 278.15 | - | 7.758 | [56] |
| 1-Propanol | 278.15 | - | 6.194 | [58] |
| 1-Propanol | 283.15 | - | 8.609 | [56] |
| 1-Propanol | 283.15 | - | 8.298 | [58] |
| 1-Propanol | 288.15 | - | 10.89 | [56] |
| 1-Propanol | 288.15 | - | 10.99 | [58] |
| 1-Propanol | 293.15 | - | 13.08 | [56] |
| 1-Propanol | 293.15 | - | 13.67 | [58] |
| 1-Propanol | 298.15 | - | 16.7 | [56] |
| 1-Propanol | 298.15 | - | 16.96 | [58] |
| 1-Propanol | 303.15 | - | 20.79 | [56] |
| 1-Propanol | 303.15 | - | 22.32 | [58] |
| 1-Propanol | 308.15 | - | 28.1 | [56] |
| 1-Propanol | 308.15 | - | 28.9 | [58] |
| 1-Propanol | 313.15 | - | 35.25 | [56] |
| 1-Propanol | 313.15 | - | 37.01 | [58] |
| 1-Propanol | 318.15 | - | 45.27 | [56] |
| 1-Propanol | 323.15 | - | 58.59 | [56] |
| 2-Butanol | 278.15 | - | 8.518 | [58] |
| 2-Butanol | 283.15 | - | 11.02 | [58] |
| 2-Butanol | 288.15 | - | 12.88 | [58] |
| 2-Butanol | 293.15 | - | 16.18 | [58] |
| 2-Butanol | 298.15 | - | 20.71 | [58] |
| 2-Butanol | 303.15 | - | 26.84 | [58] |
| 2-Butanol | 308.15 | - | 34.09 | [58] |
| 2-Butanol | 313.15 | - | 43.58 | [58] |
| Acetone | 278.15 | - | 4.85 | [56] |
| Acetone | 278.15 | - | 4.392 | [58] |
| Acetone | 283.15 | - | 5.39 | [56] |
| Acetone | 283.15 | - | 6.316 | [58] |
| Acetone | 288.15 | - | 7.157 | [56] |
| Acetone | 288.15 | - | 7.592 | [58] |
| Acetone | 293.15 | - | 7.997 | [56] |
| Acetone | 293.15 | - | 9.257 | [58] |
| Acetone | 298.15 | - | 9.747 | [56] |
| Acetone | 298.15 | - | 11.56 | [58] |
| Acetone | 303.15 | - | 12.08 | [56] |
| Acetone | 303.15 | - | 13.88 | [58] |
| Acetone | 308.15 | - | 15.57 | [56] |
| Acetone | 308.15 | - | 16.92 | [58] |
| Acetone | 313.15 | - | 18.29 | [56] |
| Acetone | 313.15 | - | 21.21 | [58] |
| Acetone | 318.15 | - | 22.53 | [56] |
| Acetone | 323.15 | - | 27.23 | [56] |
| Butyl acetate | 278.15 | - | 3.551 | [58] |
| Butyl acetate | 283.15 | - | 4.059 | [58] |
| Butyl acetate | 288.15 | - | 4.979 | [58] |
| Butyl acetate | 293.15 | - | 5.911 | [58] |
| Butyl acetate | 298.15 | - | 7.482 | [58] |
| Butyl acetate | 303.15 | - | 8.711 | [58] |
| Butyl acetate | 308.15 | - | 10.47 | [58] |
| Butyl acetate | 313.15 | - | 11.79 | [58] |
| Ethanol | 278.15 | - | 6.87 | [56] |
| Ethanol | 278.15 | - | 6.271 | [58] |
| Ethanol | 283.15 | - | 7.684 | [56] |
| Ethanol | 283.15 | - | 7.463 | [57] |
| Ethanol | 283.15 | - | 7.584 | [58] |
| Ethanol | 283.16 | - | 7.412 | [57] |
| Ethanol | 288.15 | - | 9.272 | [56] |
| Ethanol | 288.15 | - | 9.775 | [57] |
| Ethanol | 288.15 | - | 9.407 | [58] |
| Ethanol | 288.16 | - | 9.79 | [57] |
| Ethanol | 293.15 | - | 10.78 | [56] |
| Ethanol | 293.15 | - | 11.96 | [57] |
| Ethanol | 293.15 | - | 11.02 | [58] |
| Ethanol | 293.16 | - | 11.97 | [57] |
| Ethanol | 298.15 | - | 14.09 | [56] |
| Ethanol | 298.15 | - | 15.16 | [57] |
| Ethanol | 298.15 | - | 14.66 | [58] |
| Ethanol | 303.15 | - | 17.3 | [56] |
| Ethanol | 303.15 | - | 19.0 | [57] |
| Ethanol | 303.15 | - | 18.05 | [58] |
| Ethanol | 308.15 | - | 22.9 | [56] |
| Ethanol | 308.15 | - | 24.33 | [57] |
| Ethanol | 308.15 | - | 23.14 | [58] |
| Ethanol | 313.15 | - | 28.68 | [56] |
| Ethanol | 313.15 | - | 30.25 | [57] |
| Ethanol | 313.15 | - | 29.52 | [58] |
| Ethanol | 318.15 | - | 35.1 | [56] |
| Ethanol | 323.15 | - | 46.35 | [56] |
| Ethyl acetate | 278.15 | - | 4.97 | [56] |
| Ethyl acetate | 278.15 | - | 4.841 | [58] |
| Ethyl acetate | 283.15 | - | 5.451 | [56] |
| Ethyl acetate | 283.15 | - | 6.146 | [58] |
| Ethyl acetate | 288.15 | - | 7.082 | [56] |
| Ethyl acetate | 288.15 | - | 6.984 | [58] |
| Ethyl acetate | 293.15 | - | 7.776 | [56] |
| Ethyl acetate | 293.15 | - | 8.715 | [58] |
| Ethyl acetate | 298.15 | - | 9.021 | [56] |
| Ethyl acetate | 298.15 | - | 10.36 | [58] |
| Ethyl acetate | 303.15 | - | 10.91 | [56] |
| Ethyl acetate | 303.15 | - | 12.35 | [58] |
| Ethyl acetate | 308.15 | - | 13.65 | [56] |
| Ethyl acetate | 308.15 | - | 15.41 | [58] |
| Ethyl acetate | 313.15 | - | 16.28 | [56] |
| Ethyl acetate | 313.15 | - | 19.02 | [58] |
| Ethyl acetate | 318.15 | - | 19.75 | [56] |
| Ethyl acetate | 323.15 | - | 23.5 | [56] |
| Isobutyl Acetate | 278.15 | - | 2.485 | [58] |
| Isobutyl Acetate | 283.15 | - | 3.304 | [58] |
| Isobutyl Acetate | 288.15 | - | 3.997 | [58] |
| Isobutyl Acetate | 293.15 | - | 4.644 | [58] |
| Isobutyl Acetate | 298.15 | - | 5.616 | [58] |
| Isobutyl Acetate | 303.15 | - | 6.895 | [58] |
| Isobutyl Acetate | 308.15 | - | 8.08 | [58] |
| Isobutyl Acetate | 313.15 | - | 9.972 | [58] |
| Isopropanol | 278.15 | - | 1.96 | [56] |
| Isopropanol | 278.15 | - | 2.57 | [58] |
| Isopropanol | 283.15 | - | 2.5 | [56] |
| Isopropanol | 283.15 | - | 3.3 | [58] |
| Isopropanol | 288.15 | - | 3.2 | [56] |
| Isopropanol | 288.15 | - | 3.855 | [58] |
| Isopropanol | 293.15 | - | 3.8 | [56] |
| Isopropanol | 293.15 | - | 4.581 | [58] |
| Isopropanol | 298.15 | - | 5.501 | [56] |
| Isopropanol | 298.15 | - | 5.902 | [58] |
| Isopropanol | 303.15 | - | 7.228 | [56] |
| Isopropanol | 303.15 | - | 7.116 | [58] |
| Isopropanol | 308.15 | - | 10.74 | [56] |
| Isopropanol | 308.15 | - | 10.21 | [58] |
| Isopropanol | 313.15 | - | 13.31 | [56] |
| Isopropanol | 313.15 | - | 14.28 | [58] |
| Isopropanol | 318.15 | - | 16.7 | [56] |
| Isopropanol | 323.15 | - | 23.31 | [56] |
| Methanol | 278.15 | - | 20.88 | [56] |
| Methanol | 278.15 | - | 21.05 | [58] |
| Methanol | 283.15 | - | 23.6 | [56] |
| Methanol | 283.15 | - | 24.52 | [57] |
| Methanol | 283.15 | - | 23.28 | [58] |
| Methanol | 283.16 | - | 24.54 | [57] |
| Methanol | 288.15 | - | 27.8 | [56] |
| Methanol | 288.15 | - | 30.07 | [57] |
| Methanol | 288.15 | - | 27.88 | [58] |
| Methanol | 288.16 | - | 30.08 | [57] |
| Methanol | 293.15 | - | 33.4 | [56] |
| Methanol | 293.15 | - | 36.88 | [57] |
| Methanol | 293.15 | - | 33.66 | [58] |
| Methanol | 293.16 | - | 36.89 | [57] |
| Methanol | 298.15 | - | 40.05 | [56] |
| Methanol | 298.15 | - | 44.81 | [57] |
| Methanol | 298.15 | - | 41.13 | [58] |
| Methanol | 298.16 | - | 44.81 | [57] |
| Methanol | 303.15 | - | 49.01 | [56] |
| Methanol | 303.15 | - | 54.95 | [57] |
| Methanol | 303.15 | - | 50.95 | [58] |
| Methanol | 303.16 | - | 54.95 | [57] |
| Methanol | 308.15 | - | 61.59 | [56] |
| Methanol | 308.15 | - | 67.49 | [57] |
| Methanol | 308.15 | - | 62.38 | [58] |
| Methanol | 308.16 | - | 67.49 | [57] |
| Methanol | 313.15 | - | 76.8 | [56] |
| Methanol | 313.15 | - | 82.77 | [57] |
| Methanol | 313.15 | - | 78.48 | [58] |
| Methanol | 313.16 | - | 82.77 | [57] |
| Methanol | 318.15 | - | 98.3 | [56] |
| Methanol | 318.15 | - | 100.6 | [57] |
| Methanol | 318.16 | - | 100.6 | [57] |
| Methanol | 323.15 | - | 127.0 | [56] |
| Methanol | 323.15 | - | 120.1 | [57] |
| Methanol | 323.16 | - | 120.1 | [57] |
| Methanol | 328.15 | - | 146.0 | [57] |
| Methanol | 328.16 | - | 146.1 | [57] |
| Methyl acetate | 278.15 | - | 6.562 | [58] |
| Methyl acetate | 283.15 | - | 8.067 | [58] |
| Methyl acetate | 288.15 | - | 9.373 | [58] |
| Methyl acetate | 293.15 | - | 11.34 | [58] |
| Methyl acetate | 298.15 | - | 13.6 | [58] |
| Methyl acetate | 303.15 | - | 16.85 | [58] |
| Methyl acetate | 308.15 | - | 20.19 | [58] |
| Methyl acetate | 313.15 | - | 24.71 | [58] |
| Propyl acetate | 278.15 | - | 4.215 | [58] |
| Propyl acetate | 283.15 | - | 5.316 | [58] |
| Propyl acetate | 288.15 | - | 5.982 | [58] |
| Propyl acetate | 293.15 | - | 7.213 | [58] |
| Propyl acetate | 298.15 | - | 8.599 | [58] |
| Propyl acetate | 303.15 | - | 10.2 | [58] |
| Propyl acetate | 308.15 | - | 12.54 | [58] |
| Propyl acetate | 313.15 | - | 14.81 | [58] |
| Toluene | 278.15 | - | 15.0 | [56] |
| Toluene | 283.15 | - | 16.38 | [56] |
| Toluene | 288.15 | - | 20.34 | [56] |
| Toluene | 293.15 | - | 21.71 | [56] |
| Toluene | 298.15 | - | 25.79 | [56] |
| Toluene | 303.15 | - | 31.0 | [56] |
| Toluene | 308.15 | - | 38.3 | [56] |
| Toluene | 313.15 | - | 44.85 | [56] |
| Toluene | 318.15 | - | 53.4 | [56] |
| Toluene | 323.15 | - | 63.39 | [56] |
| Water | 283.15 | - | 0.0011 | [57] |
| Water | 283.16 | - | 0.0011 | [57] |
| Water | 288.15 | - | 0.0014 | [57] |
| Water | 288.16 | - | 0.0014 | [57] |
| Water | 293.15 | - | 0.0019 | [57] |
| Water | 293.16 | - | 0.0019 | [57] |
| Water | 298.15 | - | 0.0024 | [57] |
| Water | 298.15 | - | 0.0023 | [59] |
| Water | 298.16 | - | 0.0024 | [57] |
| Water | 303.15 | - | 0.0031 | [57] |
| Water | 303.15 | - | 0.0023 | [59] |
| Water | 303.16 | - | 0.0031 | [57] |
| Water | 308.15 | - | 0.0041 | [57] |
| Water | 308.15 | - | 0.0045 | [59] |
| Water | 308.16 | - | 0.0041 | [57] |
| Water | 313.15 | - | 0.0054 | [57] |
| Water | 313.15 | - | 0.0045 | [59] |
| Water | 313.16 | - | 0.0054 | [57] |
| Water | 318.15 | - | 0.0066 | [57] |
| Water | 318.15 | - | 0.0068 | [59] |
| Water | 318.16 | - | 0.0066 | [57] |
| Water | 323.15 | - | 0.0086 | [57] |
| Water | 323.15 | - | 0.009 | [59] |
| Water | 323.16 | - | 0.0086 | [57] |
| Water | 328.15 | - | 0.0108 | [57] |
| Water | 328.15 | - | 0.011 | [59] |
| Water | 328.16 | - | 0.0107 | [57] |
| Water | 333.15 | - | 0.013 | [59] |
| isopropyl acetate | 278.15 | - | 2.665 | [58] |
| isopropyl acetate | 283.15 | - | 3.152 | [58] |
| isopropyl acetate | 288.15 | - | 3.593 | [58] |
| isopropyl acetate | 293.15 | - | 4.386 | [58] |
| isopropyl acetate | 298.15 | - | 5.23 | [58] |
| isopropyl acetate | 303.15 | - | 6.451 | [58] |
| isopropyl acetate | 308.15 | - | 7.728 | [58] |
| isopropyl acetate | 313.15 | - | 9.23 | [58] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1013.5399 |
| PMI2 | 11889.8228 |
| PMI3 | 12520.9034 |
| NPR1 | 0.0809 |
| NPR2 | 0.9496 |
| RadiusOfGyration | 5.5649 |
| InertialShapeFactor | 0.0009 |
| Eccentricity | 0.9967 |
| Asphericity | 0.7770 |
| SpherocityIndex | 0.0958 |
| PBF | 0.7654 |