Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, isobutyl ester

Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C24H30F4N2O4/c1-15(2)14-34-23(33)17-7-11-29(12-8-17)21(31)16-5-9-30(10-6-16)22(32)19-4-3-18(25)13-20(19)24(26,27)28/h3-4,13,15-17H,5-12,14H2,1-2H3
InChI Key
BICSXTWHCBQDLY-UHFFFAOYSA-N
Formula
C24H30F4N2O4
SMILES
CC(C)COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1
Molecular Weight1
486.50
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Physical Properties

Property Value Unit Source
ω 0.9239 Relay (1.0) Calculated Property
ΔfG° -764.96 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1567.59 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.83 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -4.59 Relay (1.0) Calculated Property
logPoct/wat 4.135 Crippen Calculated Property
McVol 341.160 ml/mol McGowan Calculated Property
Pc 280.76 kPa Relay (1.0-beta) Calculated Property
Inp 3396.00 NIST
Tboil 725.95 K Relay (1.0) Calculated Property
Tc 966.10 K Relay (1.0) Calculated Property
Tfus 397.05 K Relay (1.0) Calculated Property
Vc 1.242 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, ethyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, decyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, undecyl ester. Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester.

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, isobutyl ester.

Sources

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