Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, isobutyl ester

Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-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)19-13-18(24(26,27)28)3-4-20(19)25/h3-4,13,15-17H,5-12,14H2,1-2H3
InChI Key
UMIQYSGQSAQQLL-UHFFFAOYSA-N
Formula
C24H30F4N2O4
SMILES
CC(C)COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)CC1
Molecular Weight1
486.50
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Physical Properties

Property Value Unit Source
ω 0.9214 Relay (1.0) Calculated Property
ΔfG° -762.00 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1569.27 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.98 kJ/mol Relay (1.0) Calculated Property
IE 8.97 eV Relay (1.0) Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 4.135 Crippen Calculated Property
McVol 341.160 ml/mol McGowan Calculated Property
Pc 247.08 kPa Relay (1.0-beta) Calculated Property
Inp [3383.00; 3383.00]   Show Hide
Inp 3383.00 NIST
Inp 3383.00 NIST
Tboil 724.67 K Relay (1.0) Calculated Property
Tc 971.51 K Relay (1.0) Calculated Property
Tfus 413.86 K Relay (1.0) Calculated Property
Vc 1.240 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(2,4-difluorobenzoyl)-, propyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2,5-difluorobenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester.

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, isobutyl ester.

Sources

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