Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester

Isonipecotinoylisonipecotic acid, N'-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester

InChI
InChI=1S/C23H28F4N2O4/c1-2-13-33-22(32)16-7-11-28(12-8-16)20(30)15-5-9-29(10-6-15)21(31)17-3-4-18(19(24)14-17)23(25,26)27/h3-4,14-16H,2,5-13H2,1H3
InChI Key
NTEOZUAFHHAIAD-UHFFFAOYSA-N
Formula
C23H28F4N2O4
SMILES
CCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
Molecular Weight1
472.47
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Physical Properties

Property Value Unit Source
ω 0.9179 Relay (1.0) Calculated Property
ΔfG° -775.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1533.92 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 108.74 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
log10WS -4.40 Relay (1.0) Calculated Property
logPoct/wat 3.889 Crippen Calculated Property
McVol 327.070 ml/mol McGowan Calculated Property
Pc 434.67 kPa Relay (1.0-beta) Calculated Property
Inp [3378.00; 3378.00]   Show Hide
Inp 3378.00 NIST
Inp 3378.00 NIST
Tboil 721.93 K Relay (1.0) Calculated Property
Tc 950.68 K Relay (1.0) Calculated Property
Tfus 386.69 K Relay (1.0) Calculated Property
Vc 1.190 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Isonipecotinoylisonipecotic acid, N'-(3-fluoro-4-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, pentyl ester. Isonipecotinoylisonipecotic acid, N'-(3,4-difluorobenzoyl)-, propyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, tridecyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, octyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, pentadecyl ester. Isonipecotic acid, N-(3-fluoro-4-trifluoromethylbenzoyl)-, undecyl ester.

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester.

Sources

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