Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester

Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C24H30F4N2O4/c1-15(2)14-34-23(33)17-8-12-29(13-9-17)21(31)16-6-10-30(11-7-16)22(32)18-4-3-5-19(20(18)25)24(26,27)28/h3-5,15-17H,6-14H2,1-2H3
InChI Key
MYOXCXVCZHOUMO-UHFFFAOYSA-N
Formula
C24H30F4N2O4
SMILES
CC(C)COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1
Molecular Weight1
486.50
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Physical Properties

Property Value Unit Source
ω 0.9211 Relay (1.0) Calculated Property
ΔfG° -769.23 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1557.80 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.46 kJ/mol Relay (1.0) Calculated Property
IE 8.93 eV Relay (1.0) Calculated Property
log10WS -4.51 Relay (1.0) Calculated Property
logPoct/wat 4.135 Crippen Calculated Property
McVol 341.160 ml/mol McGowan Calculated Property
Pc 271.46 kPa Relay (1.0-beta) Calculated Property
Inp [3451.00; 3451.00]   Show Hide
Inp 3451.00 NIST
Inp 3451.00 NIST
Tboil 728.28 K Relay (1.0) Calculated Property
Tc 963.18 K Relay (1.0) Calculated Property
Tfus 397.52 K Relay (1.0) Calculated Property
Vc 1.241 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester.

Sources

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