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

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

InChI
InChI=1S/C23H30F2N2O4/c1-15(2)14-31-23(30)17-7-11-26(12-8-17)21(28)16-5-9-27(10-6-16)22(29)19-13-18(24)3-4-20(19)25/h3-4,13,15-17H,5-12,14H2,1-2H3
InChI Key
NELJVXUQUTZKPA-UHFFFAOYSA-N
Formula
C23H30F2N2O4
SMILES
CC(C)COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(F)ccc3F)CC2)CC1
Molecular Weight1
436.49
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Physical Properties

Property Value Unit Source
ω 0.8940 Relay (1.0) Calculated Property
ΔfG° -364.18 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1075.95 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.41 kJ/mol Relay (1.0) Calculated Property
IE 8.80 eV Relay (1.0) Calculated Property
log10WS -4.05 Relay (1.0) Calculated Property
logPoct/wat 3.255 Crippen Calculated Property
McVol 323.530 ml/mol McGowan Calculated Property
Pc 574.34 kPa Relay (1.0-beta) Calculated Property
Inp [3525.00; 3525.00]   Show Hide
Inp 3525.00 NIST
Inp 3525.00 NIST
Tboil 716.22 K Relay (1.0) Calculated Property
Tc 977.32 K Relay (1.0) Calculated Property
Tfus 395.19 K Relay (1.0) Calculated Property
Vc 1.175 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

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

Sources

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