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

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

InChI
InChI=1S/C22H26F4N2O4/c1-2-32-21(31)15-7-11-27(12-8-15)19(29)14-5-9-28(10-6-14)20(30)17-13-16(22(24,25)26)3-4-18(17)23/h3-4,13-15H,2,5-12H2,1H3
InChI Key
FANQHTRGBYKXDM-UHFFFAOYSA-N
Formula
C22H26F4N2O4
SMILES
CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)CC1
Molecular Weight1
458.45
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Physical Properties

Property Value Unit Source
ω 0.8605 Relay (1.0) Calculated Property
ΔfG° -772.52 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1508.34 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 110.52 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 3.498 Crippen Calculated Property
McVol 312.980 ml/mol McGowan Calculated Property
Pc 451.93 kPa Relay (1.0-beta) Calculated Property
Inp [3224.00; 3224.00]   Show Hide
Inp 3224.00 NIST
Inp 3224.00 NIST
Tboil 706.42 K Relay (1.0) Calculated Property
Tc 960.53 K Relay (1.0) Calculated Property
Tfus 408.87 K Relay (1.0) Calculated Property
Vc 1.136 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)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester. Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexadecyl ester.

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

Sources

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