Flutamide
CAS Number: 13311-84-7
Molecular Mass: 276.21 g/mol
Formula: C11H11F3N2O3
Smiles: CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
Synonymes:
Flutamide, flutamide, 13311-84-7, Eulexin, Niftolide, Drogenil, Sch 13521, 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, niftolid, NFBA, Flutamida, Flutamidum, Sch-13521, Eulexine, 4'-Nitro-3'-trifluoromethylisobutyranilide, 2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide, Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, SCH13521, DTXSID7032004, alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide, NSC-215876, Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-, 76W6J0943E, CHEBI:5132, DTXCID9011121, Flutacell, ApoFlutamide, NovoFlutamide, Apo Flutamide, Fluta cell, Novo Flutamide, FlutaGRY, PMS Flutamide, Fluta GRY, 2-Methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide, RefChem:55220, L02BB01, 236-341-9, Euflex, Niftholide, Flutamin, Cebatrol, veterinary, N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)ISOBUTYRAMIDE, MFCD00072009, NSC 215876, CHEMBL806, 4-Nitro-3-(trifluoromethyl)isobutyranilide, 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide, NCGC00015452-09, Chimax, Odyne, 4'-Nitro-3'-trifluoromethylisobutyramilide, CAS-13311-84-7, Ham's F-12 medium, Flutamidum [INN-Latin], Flutamida [INN-Spanish], Flutamide USP25, N-[4-Nitro-3-(trifluoromethyl)phenyl]isobutyramide, Prostandril, .alpha.,.alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide, SMR000058187, Eulexin (TN), CCRIS 7246, m-Propionotoluidide,.alpha.,.alpha.-trifluoro-, SR-01000075888, EINECS 236-341-9, NK-601, BRN 2157663, .alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide, m-Propionotoluidide,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-, Flutamide CRS, UNII-76W6J0943E, 4'-Nitro-3'-(trifluoromethyl)isobutyranilide, Flutamide [USAN:USP:INN:BAN], Prestwick_228, Flutamide (Eulexin), Flutamide (Standard), Spectrum_001210, CPD000058187, FLUTAMIDE [INN], FLUTAMIDE [JAN], FLUTAMIDE [MI], FLUTAMIDE [USAN], Prestwick0_000180, Prestwick1_000180, Prestwick2_000180, Prestwick3_000180, Spectrum2_001201, Spectrum3_001421, Spectrum4_000829, Spectrum5_001450, Lopac-F-9397, F0663, Flutamide (pubertal study), FLUTAMIDE [MART.], F 9397, FLUTAMIDE [USP-RS], FLUTAMIDE [WHO-DD], SCHEMBL3934, Lopac0_000557, BSPBio_000079, BSPBio_003122, KBioGR_001377, KBioSS_001690, MLS000069634, MLS001065596, MLS002548892, DivK1c_000459, SPECTRUM1500995, Flutamide - Bio-X trade mark, SPBio_000982, SPBio_002000, Flutamide (JP18/USP/INN), BPBio1_000087, GTPL6943, orb1310563, FLUTAMIDE [EP IMPURITY], FLUTAMIDE [ORANGE BOOK], CHEMBL4759307, FLUTAMIDE [EP MONOGRAPH], SCHEMBL12932289, SCHEMBL29349783, HMS501G21, HY-B0022R, KBio1_000459, KBio2_001690, KBio2_004258, KBio2_006826, KBio3_002342, FLUTAMIDE [USP MONOGRAPH], NINDS_000459, GLXC-07722, HMS1568D21, HMS1921O16, HMS2090I18, HMS2092O14, HMS2095D21, HMS2230P19, HMS3259I03, HMS3261P15, HMS3373C12, HMS3655G22, HMS3712D21, HMS5080H03, Pharmakon1600-01500995, HY-B0022, MSK11432, YIA13472, Tox21_110154, Tox21_202169, Tox21_300536, Tox21_500557, BDBM50131270, CCG-39105, EBC-03834, m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-, m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-, NSC147834, NSC215876, NSC757817, s1908, SBB006930, AKOS001025465, AKOS015994751, AKOS025243203, m-Propionotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-, Tox21_110154_1, AB02835, DB00499, FF23510, KS-5091, LP00557, NC00451, NSC-147834, NSC-757817, SDCCGSBI-0050540.P004, IDI1_000459, NCGC00015452-01, NCGC00015452-02, NCGC00015452-03, NCGC00015452-04, NCGC00015452-05, NCGC00015452-06, NCGC00015452-07, NCGC00015452-08, NCGC00015452-10, NCGC00015452-11, NCGC00015452-12, NCGC00015452-13, NCGC00015452-14, NCGC00015452-15, NCGC00015452-16, NCGC00015452-19, NCGC00015452-20, NCGC00015452-32, NCGC00091460-01, NCGC00091460-02, NCGC00091460-03, NCGC00091460-04, NCGC00091460-05, NCGC00091460-06, NCGC00091460-07, NCGC00091460-08, NCGC00091460-09, NCGC00254495-01, NCGC00259718-01, NCGC00261242-01, AC-24192, BF166239, ST058409, SY036411, SBI-0050540.P003, DB-042163, 3'-Trifluoromethyl-4'-Nitro-Isobutyranilide, AB00052188, EU-0100557, NS00002675, SW196536-4, T0489, 4''-nitro-3''-trifluoromethylisobutyranilide, A10796, C07653, D00586, EN300-119548, AB00052188-09, AB00052188_10, AB00052188_11, F358096, Q418669, SR-01000075888-1, SR-01000075888-6, SR-01000075888-7, SR-01000075888-9, BRD-K28307902-001-05-0, BRD-K28307902-001-20-9, BRD-K28307902-001-21-7, Flutamide, certified reference material, TraceCERT(R), Z56755651, Flutamide, European Pharmacopoeia (EP) Reference Standard, N1-[4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide, 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide #, Flutamide, United States Pharmacopeia (USP) Reference Standard, alpha,alpha,alpha-trifluoro-2-methyl-4''-nitro-m-propionotoluidide, m-Propionotoluidide, 2-methyl-4'-nitro-.alpha.,.alpha.,.alpha.-trifluoro-, Flutamide for system suitability, European Pharmacopoeia (EP) Reference Standard, 37209-54-4
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1,4-Dioxane | 283.15 | - | 448.0 | [146] |
| 1,4-Dioxane | 283.15 | - | 397.0 | [147] |
| 1,4-Dioxane | 288.15 | - | 527.3 | [146] |
| 1,4-Dioxane | 288.15 | - | 476.4 | [147] |
| 1,4-Dioxane | 293.15 | - | 619.5 | [146] |
| 1,4-Dioxane | 293.15 | - | 578.5 | [147] |
| 1,4-Dioxane | 298.15 | - | 729.1 | [146] |
| 1,4-Dioxane | 298.15 | - | 692.6 | [147] |
| 1,4-Dioxane | 303.15 | - | 853.1 | [146] |
| 1,4-Dioxane | 303.15 | - | 816.2 | [147] |
| 1,4-Dioxane | 308.15 | - | 999.6 | [146] |
| 1,4-Dioxane | 308.15 | - | 957.0 | [147] |
| 1,4-Dioxane | 313.15 | - | 1184.0 | [146] |
| 1,4-Dioxane | 313.15 | - | 1125.5 | [147] |
| 1,4-Dioxane | 318.15 | - | 1399.6 | [146] |
| 1,4-Dioxane | 318.15 | - | 1345.8 | [147] |
| 1,4-Dioxane | 323.15 | - | 1600.5 | [146] |
| 1,4-Dioxane | 323.15 | - | 1671.0 | [147] |
| 1-Butanol | 278.15 | - | 157.8 | [147] |
| 1-Butanol | 283.15 | - | 176.9 | [147] |
| 1-Butanol | 288.15 | - | 201.1 | [147] |
| 1-Butanol | 293.15 | - | 230.3 | [147] |
| 1-Butanol | 298.15 | - | 260.0 | [147] |
| 1-Butanol | 303.15 | - | 297.2 | [147] |
| 1-Butanol | 308.15 | - | 341.6 | [147] |
| 1-Butanol | 313.15 | - | 393.2 | [147] |
| 1-Butanol | 318.15 | - | 461.4 | [147] |
| 1-Butanol | 323.15 | - | 541.1 | [147] |
| 1-Propanol | 278.15 | - | 193.3 | [147] |
| 1-Propanol | 283.15 | - | 216.1 | [147] |
| 1-Propanol | 288.15 | - | 246.9 | [147] |
| 1-Propanol | 293.15 | - | 276.9 | [147] |
| 1-Propanol | 298.15 | - | 312.8 | [147] |
| 1-Propanol | 303.15 | - | 356.9 | [147] |
| 1-Propanol | 308.15 | - | 408.3 | [147] |
| 1-Propanol | 313.15 | - | 470.9 | [147] |
| 1-Propanol | 318.15 | - | 547.3 | [147] |
| 1-Propanol | 323.15 | - | 634.0 | [147] |
| 2-Methoxyethanol | 278.15 | - | 490.6 | [148] |
| 2-Methoxyethanol | 283.15 | - | 529.5 | [148] |
| 2-Methoxyethanol | 288.15 | - | 582.6 | [148] |
| 2-Methoxyethanol | 293.15 | - | 634.1 | [148] |
| 2-Methoxyethanol | 298.15 | - | 695.6 | [148] |
| 2-Methoxyethanol | 303.15 | - | 759.9 | [148] |
| 2-Methoxyethanol | 308.15 | - | 835.4 | [148] |
| 2-Methoxyethanol | 313.15 | - | 922.4 | [148] |
| 2-Methoxyethanol | 318.15 | - | 1019.7 | [148] |
| 2-Methoxyethanol | 323.15 | - | 1133.0 | [148] |
| Acetone | 278.15 | - | 875.7 | [147] |
| Acetone | 278.15 | - | 743.9 | [148] |
| Acetone | 283.15 | - | 959.5 | [147] |
| Acetone | 283.15 | - | 800.1 | [148] |
| Acetone | 288.15 | - | 1119.7 | [147] |
| Acetone | 288.15 | - | 858.0 | [148] |
| Acetone | 293.15 | - | 1306.6 | [147] |
| Acetone | 293.15 | - | 917.7 | [148] |
| Acetone | 298.15 | - | 1533.6 | [147] |
| Acetone | 298.15 | - | 986.2 | [148] |
| Acetone | 303.15 | - | 1799.5 | [147] |
| Acetone | 303.15 | - | 1063.9 | [148] |
| Acetone | 308.15 | - | 2120.2 | [147] |
| Acetone | 308.15 | - | 1148.2 | [148] |
| Acetone | 313.15 | - | 2502.5 | [147] |
| Acetone | 313.15 | - | 1250.0 | [148] |
| Acetone | 318.15 | - | 2956.6 | [147] |
| Acetone | 318.15 | - | 1359.0 | [148] |
| Acetone | 323.15 | - | 3460.2 | [147] |
| Acetone | 323.15 | - | 1488.5 | [148] |
| Acetonitrile | 278.15 | - | 338.0 | [146] |
| Acetonitrile | 278.15 | - | 322.2 | [147] |
| Acetonitrile | 283.15 | - | 432.2 | [146] |
| Acetonitrile | 283.15 | - | 408.3 | [147] |
| Acetonitrile | 288.15 | - | 549.0 | [146] |
| Acetonitrile | 288.15 | - | 525.3 | [147] |
| Acetonitrile | 293.15 | - | 683.3 | [146] |
| Acetonitrile | 293.15 | - | 712.4 | [147] |
| Acetonitrile | 298.15 | - | 880.6 | [146] |
| Acetonitrile | 298.15 | - | 975.3 | [147] |
| Acetonitrile | 303.15 | - | 1119.2 | [146] |
| Acetonitrile | 303.15 | - | 1276.5 | [147] |
| Acetonitrile | 308.15 | - | 1424.7 | [146] |
| Acetonitrile | 308.15 | - | 1677.4 | [147] |
| Acetonitrile | 313.15 | - | 1811.7 | [146] |
| Acetonitrile | 313.15 | - | 2155.2 | [147] |
| Acetonitrile | 318.15 | - | 2327.6 | [146] |
| Acetonitrile | 318.15 | - | 2790.6 | [147] |
| Acetonitrile | 323.15 | - | 3026.7 | [146] |
| Acetonitrile | 323.15 | - | 3762.1 | [147] |
| Dichloromethane | 278.15 | - | 32.46 | [148] |
| Dichloromethane | 283.15 | - | 40.77 | [148] |
| Dichloromethane | 288.15 | - | 51.35 | [148] |
| Dichloromethane | 293.15 | - | 62.75 | [148] |
| Dichloromethane | 298.15 | - | 79.19 | [148] |
| Dichloromethane | 303.15 | - | 96.86 | [148] |
| Dichloromethane | 308.15 | - | 118.6 | [148] |
| Dimethyl sulfoxide | 293.15 | - | 2971.0 | [148] |
| Dimethyl sulfoxide | 298.15 | - | 3086.3 | [148] |
| Dimethyl sulfoxide | 303.15 | - | 3214.6 | [148] |
| Dimethyl sulfoxide | 308.15 | - | 3385.1 | [148] |
| Dimethyl sulfoxide | 313.15 | - | 3534.1 | [148] |
| Dimethyl sulfoxide | 318.15 | - | 3737.0 | [148] |
| Dimethyl sulfoxide | 323.15 | - | 3970.0 | [148] |
| Dimethylformamide | 278.15 | - | 2250.0 | [148] |
| Dimethylformamide | 283.15 | - | 2322.4 | [148] |
| Dimethylformamide | 288.15 | - | 2408.4 | [148] |
| Dimethylformamide | 293.15 | - | 2490.0 | [148] |
| Dimethylformamide | 298.15 | - | 2595.0 | [148] |
| Dimethylformamide | 303.15 | - | 2715.2 | [148] |
| Dimethylformamide | 308.15 | - | 2856.1 | [148] |
| Dimethylformamide | 313.15 | - | 3012.2 | [148] |
| Dimethylformamide | 318.15 | - | 3175.2 | [148] |
| Dimethylformamide | 323.15 | - | 3395.9 | [148] |
| Ethanol | 278.15 | - | 182.6 | [146] |
| Ethanol | 278.15 | - | 254.6 | [147] |
| Ethanol | 278.15 | - | 167.2 | [148] |
| Ethanol | 283.15 | - | 217.6 | [146] |
| Ethanol | 283.15 | - | 281.6 | [147] |
| Ethanol | 283.15 | - | 202.5 | [148] |
| Ethanol | 288.15 | - | 262.0 | [146] |
| Ethanol | 288.15 | - | 319.9 | [147] |
| Ethanol | 288.15 | - | 251.8 | [148] |
| Ethanol | 293.15 | - | 311.2 | [146] |
| Ethanol | 293.15 | - | 361.4 | [147] |
| Ethanol | 293.15 | - | 294.6 | [148] |
| Ethanol | 298.15 | - | 370.0 | [146] |
| Ethanol | 298.15 | - | 408.0 | [147] |
| Ethanol | 298.15 | - | 353.7 | [148] |
| Ethanol | 303.15 | - | 439.3 | [146] |
| Ethanol | 303.15 | - | 467.5 | [147] |
| Ethanol | 303.15 | - | 423.7 | [148] |
| Ethanol | 308.15 | - | 518.4 | [146] |
| Ethanol | 308.15 | - | 529.7 | [147] |
| Ethanol | 308.15 | - | 505.2 | [148] |
| Ethanol | 313.15 | - | 606.9 | [146] |
| Ethanol | 313.15 | - | 615.3 | [147] |
| Ethanol | 313.15 | - | 604.5 | [148] |
| Ethanol | 318.15 | - | 722.6 | [146] |
| Ethanol | 318.15 | - | 707.9 | [147] |
| Ethanol | 318.15 | - | 720.8 | [148] |
| Ethanol | 323.15 | - | 847.7 | [146] |
| Ethanol | 323.15 | - | 832.3 | [147] |
| Ethanol | 323.15 | - | 858.6 | [148] |
| Ethyl acetate | 278.15 | - | 553.6 | [147] |
| Ethyl acetate | 278.15 | - | 319.1 | [148] |
| Ethyl acetate | 283.15 | - | 618.0 | [147] |
| Ethyl acetate | 283.15 | - | 351.2 | [148] |
| Ethyl acetate | 288.15 | - | 671.9 | [147] |
| Ethyl acetate | 288.15 | - | 384.9 | [148] |
| Ethyl acetate | 293.15 | - | 731.6 | [147] |
| Ethyl acetate | 293.15 | - | 425.9 | [148] |
| Ethyl acetate | 298.15 | - | 824.2 | [147] |
| Ethyl acetate | 298.15 | - | 469.4 | [148] |
| Ethyl acetate | 303.15 | - | 909.6 | [147] |
| Ethyl acetate | 303.15 | - | 514.4 | [148] |
| Ethyl acetate | 308.15 | - | 1016.7 | [147] |
| Ethyl acetate | 308.15 | - | 565.3 | [148] |
| Ethyl acetate | 313.15 | - | 1122.8 | [147] |
| Ethyl acetate | 313.15 | - | 630.3 | [148] |
| Ethyl acetate | 318.15 | - | 1286.7 | [147] |
| Ethyl acetate | 318.15 | - | 702.5 | [148] |
| Ethyl acetate | 323.15 | - | 1463.0 | [147] |
| Ethyl acetate | 323.15 | - | 786.2 | [148] |
| Ethylene Glycol | 278.15 | - | 4.45 | [148] |
| Ethylene Glycol | 283.15 | - | 5.789 | [148] |
| Ethylene Glycol | 288.15 | - | 7.47 | [148] |
| Ethylene Glycol | 293.15 | - | 9.68 | [148] |
| Ethylene Glycol | 298.15 | - | 11.93 | [148] |
| Ethylene Glycol | 303.15 | - | 15.21 | [148] |
| Ethylene Glycol | 308.15 | - | 19.2 | [148] |
| Ethylene Glycol | 313.15 | - | 24.14 | [148] |
| Ethylene Glycol | 318.15 | - | 29.92 | [148] |
| Ethylene Glycol | 323.15 | - | 37.12 | [148] |
| Glycol monoethyl ether | 278.15 | - | 441.8 | [148] |
| Glycol monoethyl ether | 283.15 | - | 477.1 | [148] |
| Glycol monoethyl ether | 288.15 | - | 516.1 | [148] |
| Glycol monoethyl ether | 293.15 | - | 558.8 | [148] |
| Glycol monoethyl ether | 298.15 | - | 607.5 | [148] |
| Glycol monoethyl ether | 303.15 | - | 660.0 | [148] |
| Glycol monoethyl ether | 308.15 | - | 720.7 | [148] |
| Glycol monoethyl ether | 313.15 | - | 789.1 | [148] |
| Glycol monoethyl ether | 318.15 | - | 864.6 | [148] |
| Glycol monoethyl ether | 323.15 | - | 959.1 | [148] |
| Isobutanol | 278.15 | - | 96.17 | [147] |
| Isobutanol | 283.15 | - | 119.6 | [147] |
| Isobutanol | 288.15 | - | 153.8 | [147] |
| Isobutanol | 293.15 | - | 201.7 | [147] |
| Isobutanol | 298.15 | - | 250.0 | [147] |
| Isobutanol | 303.15 | - | 316.1 | [147] |
| Isobutanol | 308.15 | - | 394.6 | [147] |
| Isobutanol | 313.15 | - | 482.1 | [147] |
| Isobutanol | 318.15 | - | 603.2 | [147] |
| Isobutanol | 323.15 | - | 756.3 | [147] |
| Isopropanol | 278.15 | - | 227.2 | [146] |
| Isopropanol | 278.15 | - | 209.0 | [147] |
| Isopropanol | 283.15 | - | 259.5 | [146] |
| Isopropanol | 283.15 | - | 237.0 | [147] |
| Isopropanol | 288.15 | - | 297.0 | [146] |
| Isopropanol | 288.15 | - | 269.8 | [147] |
| Isopropanol | 293.15 | - | 340.3 | [146] |
| Isopropanol | 293.15 | - | 313.8 | [147] |
| Isopropanol | 298.15 | - | 389.7 | [146] |
| Isopropanol | 298.15 | - | 362.8 | [147] |
| Isopropanol | 303.15 | - | 442.3 | [146] |
| Isopropanol | 303.15 | - | 420.4 | [147] |
| Isopropanol | 308.15 | - | 506.4 | [146] |
| Isopropanol | 308.15 | - | 488.4 | [147] |
| Isopropanol | 313.15 | - | 575.0 | [146] |
| Isopropanol | 313.15 | - | 570.1 | [147] |
| Isopropanol | 318.15 | - | 646.4 | [146] |
| Isopropanol | 318.15 | - | 672.9 | [147] |
| Isopropanol | 323.15 | - | 748.0 | [146] |
| Isopropanol | 323.15 | - | 776.8 | [147] |
| Methanol | 278.15 | - | 289.6 | [147] |
| Methanol | 278.15 | - | 212.0 | [148] |
| Methanol | 283.15 | - | 340.0 | [147] |
| Methanol | 283.15 | - | 259.5 | [148] |
| Methanol | 288.15 | - | 403.0 | [147] |
| Methanol | 288.15 | - | 320.2 | [148] |
| Methanol | 293.15 | - | 466.9 | [147] |
| Methanol | 293.15 | - | 383.4 | [148] |
| Methanol | 298.15 | - | 554.9 | [147] |
| Methanol | 298.15 | - | 471.3 | [148] |
| Methanol | 303.15 | - | 648.4 | [147] |
| Methanol | 303.15 | - | 570.2 | [148] |
| Methanol | 308.15 | - | 765.4 | [147] |
| Methanol | 308.15 | - | 688.9 | [148] |
| Methanol | 313.15 | - | 911.1 | [147] |
| Methanol | 313.15 | - | 821.9 | [148] |
| Methanol | 318.15 | - | 1094.7 | [147] |
| Methanol | 318.15 | - | 993.7 | [148] |
| Methanol | 323.15 | - | 1309.5 | [147] |
| Methanol | 323.15 | - | 1190.2 | [148] |
| Methyl acetate | 278.15 | - | 581.5 | [147] |
| Methyl acetate | 278.15 | - | 370.8 | [148] |
| Methyl acetate | 283.15 | - | 659.0 | [147] |
| Methyl acetate | 283.15 | - | 405.4 | [148] |
| Methyl acetate | 288.15 | - | 765.6 | [147] |
| Methyl acetate | 288.15 | - | 448.3 | [148] |
| Methyl acetate | 293.15 | - | 913.7 | [147] |
| Methyl acetate | 293.15 | - | 487.7 | [148] |
| Methyl acetate | 298.15 | - | 1089.2 | [147] |
| Methyl acetate | 298.15 | - | 539.7 | [148] |
| Methyl acetate | 303.15 | - | 1305.0 | [147] |
| Methyl acetate | 303.15 | - | 575.9 | [148] |
| Methyl acetate | 308.15 | - | 1547.6 | [147] |
| Methyl acetate | 308.15 | - | 649.9 | [148] |
| Methyl acetate | 313.15 | - | 1823.7 | [147] |
| Methyl acetate | 313.15 | - | 718.4 | [148] |
| Methyl acetate | 318.15 | - | 2196.6 | [147] |
| Methyl acetate | 318.15 | - | 797.0 | [148] |
| Methyl acetate | 323.15 | - | 2693.0 | [147] |
| Methyl acetate | 323.15 | - | 888.8 | [148] |
| Tetrahydrofuran | 278.15 | - | 1208.6 | [147] |
| Tetrahydrofuran | 283.15 | - | 1314.5 | [147] |
| Tetrahydrofuran | 288.15 | - | 1447.4 | [147] |
| Tetrahydrofuran | 293.15 | - | 1604.5 | [147] |
| Tetrahydrofuran | 298.15 | - | 1804.2 | [147] |
| Tetrahydrofuran | 303.15 | - | 2022.3 | [147] |
| Tetrahydrofuran | 308.15 | - | 2271.0 | [147] |
| Tetrahydrofuran | 313.15 | - | 2563.2 | [147] |
| Tetrahydrofuran | 318.15 | - | 2913.7 | [147] |
| Tetrahydrofuran | 323.15 | - | 3300.2 | [147] |
| Water | 278.15 | - | 0.0037 | [146] |
| Water | 283.15 | - | 0.0049 | [146] |
| Water | 288.15 | - | 0.0062 | [146] |
| Water | 293.15 | - | 0.008 | [146] |
| Water | 298.15 | - | 0.0102 | [146] |
| Water | 303.15 | - | 0.0128 | [146] |
| Water | 308.15 | - | 0.0163 | [146] |
| Water | 313.15 | - | 0.0201 | [146] |
| Water | 318.15 | - | 0.0251 | [146] |
| Water | 323.15 | - | 0.0312 | [146] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 660.0505 |
| PMI2 | 2919.0773 |
| PMI3 | 3381.2035 |
| NPR1 | 0.1952 |
| NPR2 | 0.8633 |
| RadiusOfGyration | 3.5496 |
| InertialShapeFactor | 0.0013 |
| Eccentricity | 0.9808 |
| Asphericity | 0.5252 |
| SpherocityIndex | 0.1064 |
| PBF | 0.5534 |