Risperidone

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: -

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