Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester

Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-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)18-14-17(24)3-4-19(18)23(25,26)27/h3-4,14-16H,2,5-13H2,1H3
InChI Key
FCCBULHSWBINGT-UHFFFAOYSA-N
Formula
C23H28F4N2O4
SMILES
CCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1
Molecular Weight1
472.47
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.9114 Relay (1.0) Calculated Property
ΔfG° -770.56 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1528.84 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 107.46 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -4.37 Relay (1.0) Calculated Property
logPoct/wat 3.889 Crippen Calculated Property
McVol 327.070 ml/mol McGowan Calculated Property
Pc 422.15 kPa Relay (1.0-beta) Calculated Property
Inp [3336.00; 3336.00]   Show Hide
Inp 3336.00 NIST
Inp 3336.00 NIST
Tboil 719.42 K Relay (1.0) Calculated Property
Tc 957.60 K Relay (1.0) Calculated Property
Tfus 382.46 K Relay (1.0) Calculated Property
Vc 1.189 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, isobutyl ester. Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(4-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, propyl ester. Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester. Isonipecotinoylisonipecotic acid, N'-(2,5-di(trifluoromethyl)benzoyl)-, ethyl ester. Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, dodecyl ester. Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, tetradecyl ester. Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(3-fluoro-6-trifluoromethylbenzoyl)-, octyl ester.

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(3-fluoro-6-trifluoromethylbenzoyl)-, propyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.