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

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

InChI
InChI=1S/C21H26F2N2O4/c1-2-29-21(28)15-7-11-24(12-8-15)19(26)14-5-9-25(10-6-14)20(27)17-13-16(22)3-4-18(17)23/h3-4,13-15H,2,5-12H2,1H3
InChI Key
ZERUEWCIMQNHPZ-UHFFFAOYSA-N
Formula
C21H26F2N2O4
SMILES
CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(F)ccc3F)CC2)CC1
Molecular Weight1
408.44
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Physical Properties

Property Value Unit Source
ω 0.8327 Relay (1.0) Calculated Property
ΔfG° -374.58 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1016.81 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.69 kJ/mol Relay (1.0) Calculated Property
IE 8.65 eV Relay (1.0) Calculated Property
log10WS -3.51 Relay (1.0) Calculated Property
logPoct/wat 2.619 Crippen Calculated Property
McVol 295.350 ml/mol McGowan Calculated Property
Pc 831.14 kPa Relay (1.0-beta) Calculated Property
Inp 3337.00 NIST
Tboil 699.86 K Relay (1.0) Calculated Property
Tc 963.50 K Relay (1.0) Calculated Property
Tfus 391.01 K Relay (1.0) Calculated Property
Vc 1.070 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

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

Sources

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