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

Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester

InChI
InChI=1S/C24H30F4N2O4/c1-2-3-14-34-23(33)17-8-12-29(13-9-17)21(31)16-6-10-30(11-7-16)22(32)19-15-18(24(26,27)28)4-5-20(19)25/h4-5,15-17H,2-3,6-14H2,1H3
InChI Key
LJZCFNOQZGXAID-UHFFFAOYSA-N
Formula
C24H30F4N2O4
SMILES
CCCCOC(=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 0.9521 Relay (1.0) Calculated Property
ΔfG° -759.80 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1551.58 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.24 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 4.279 Crippen Calculated Property
McVol 341.160 ml/mol McGowan Calculated Property
Pc 334.40 kPa Relay (1.0-beta) Calculated Property
Inp [3436.00; 3436.00]   Show Hide
Inp 3436.00 NIST
Inp 3436.00 NIST
Tboil 723.63 K Relay (1.0) Calculated Property
Tc 971.02 K Relay (1.0) Calculated Property
Tfus 391.40 K Relay (1.0) Calculated Property
Vc 1.239 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)-, isobutyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexadecyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, decyl ester.

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

Sources

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