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

Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, ethyl ester

InChI
InChI=1S/C21H23F5N2O4/c1-2-32-21(31)12-5-9-27(10-6-12)19(29)11-3-7-28(8-4-11)20(30)13-14(22)16(24)18(26)17(25)15(13)23/h11-12H,2-10H2,1H3
InChI Key
GLLMVTGPYLCOJK-UHFFFAOYSA-N
Formula
C21H23F5N2O4
SMILES
CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)CC1
Molecular Weight1
462.41
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Physical Properties

Property Value Unit Source
ω 0.8880 Relay (1.0) Calculated Property
ΔfG° -874.51 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1427.70 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 109.98 kJ/mol Relay (1.0) Calculated Property
IE 8.97 eV Relay (1.0) Calculated Property
log10WS -5.18 Relay (1.0) Calculated Property
logPoct/wat 3.036 Crippen Calculated Property
McVol 300.660 ml/mol McGowan Calculated Property
Pc 662.56 kPa Relay (1.0-beta) Calculated Property
Inp [3142.00; 3142.00]   Show Hide
Inp 3142.00 NIST
Inp 3142.00 NIST
Tboil 687.49 K Relay (1.0) Calculated Property
Tc 934.82 K Relay (1.0) Calculated Property
Tfus 403.39 K Relay (1.0) Calculated Property
Vc 1.100 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

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

Sources

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