Chemical Properties of Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, isobutyl ester

Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, isobutyl ester

InChI
InChI=1S/C23H27F5N2O4/c1-12(2)11-34-23(33)14-5-9-29(10-6-14)21(31)13-3-7-30(8-4-13)22(32)15-16(24)18(26)20(28)19(27)17(15)25/h12-14H,3-11H2,1-2H3
InChI Key
CAHVHOKNOWSMMJ-UHFFFAOYSA-N
Formula
C23H27F5N2O4
SMILES
CC(C)COC(=O)C1CCN(C(=O)C2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)CC1
Molecular Weight1
490.46
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Physical Properties

Property Value Unit Source
ω 0.9469 Relay (1.0) Calculated Property
ΔfG° -863.05 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1487.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.50 kJ/mol Relay (1.0) Calculated Property
IE 9.10 eV Relay (1.0) Calculated Property
log10WS -5.68 Relay (1.0) Calculated Property
logPoct/wat 3.672 Crippen Calculated Property
McVol 328.840 ml/mol McGowan Calculated Property
Pc 408.78 kPa Relay (1.0-beta) Calculated Property
Inp [3305.00; 3305.00]   Show Hide
Inp 3305.00 NIST
Inp 3305.00 NIST
Tboil 706.61 K Relay (1.0) Calculated Property
Tc 947.21 K Relay (1.0) Calculated Property
Tfus 403.31 K Relay (1.0) Calculated Property
Vc 1.204 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, isobutyl ester.

Sources

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