Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester

Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester

InChI
InChI=1S/C24H28F6N2O4/c1-2-13-36-22(35)16-7-11-31(12-8-16)20(33)15-5-9-32(10-6-15)21(34)18-14-17(23(25,26)27)3-4-19(18)24(28,29)30/h3-4,14-16H,2,5-13H2,1H3
InChI Key
DZSFPFOIUVUVHR-UHFFFAOYSA-N
Formula
C24H28F6N2O4
SMILES
CCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)CC1
Molecular Weight1
522.48
Other Names
  • Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, ester
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Physical Properties

Property Value Unit Source
ω 0.9581 Relay (1.0) Calculated Property
ΔfG° -1097.64 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1965.68 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.62 kJ/mol Relay (1.0) Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -5.31 Relay (1.0) Calculated Property
logPoct/wat 4.768 Crippen Calculated Property
McVol 344.700 ml/mol McGowan Calculated Property
Pc 139.00 kPa Relay (1.0-beta) Calculated Property
Inp 3186.00 NIST
Tboil 721.32 K Relay (1.0) Calculated Property
Tc 973.52 K Relay (1.0) Calculated Property
Tfus 408.68 K Relay (1.0) Calculated Property
Vc 1.272 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester.

Sources

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