Chemical Properties of Isonipecotinoylisonipecotic acid, N'-(2,4-difluorobenzoyl)-, propyl ester

Isonipecotinoylisonipecotic acid, N'-(2,4-difluorobenzoyl)-, propyl ester

InChI
InChI=1S/C22H28F2N2O4/c1-2-13-30-22(29)16-7-11-25(12-8-16)20(27)15-5-9-26(10-6-15)21(28)18-4-3-17(23)14-19(18)24/h3-4,14-16H,2,5-13H2,1H3
InChI Key
GRYSEGVTEOGHGI-UHFFFAOYSA-N
Formula
C22H28F2N2O4
SMILES
CCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1
Molecular Weight1
422.47
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 0.8830 Relay (1.0) Calculated Property
ΔfG° -368.74 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1050.40 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.02 kJ/mol Relay (1.0) Calculated Property
IE 8.75 eV Relay (1.0) Calculated Property
log10WS -3.95 Relay (1.0) Calculated Property
logPoct/wat 3.009 Crippen Calculated Property
McVol 309.440 ml/mol McGowan Calculated Property
Pc 768.27 kPa Relay (1.0-beta) Calculated Property
Inp 3433.00 NIST
Tboil 709.76 K Relay (1.0) Calculated Property
Tc 963.97 K Relay (1.0) Calculated Property
Tfus 382.70 K Relay (1.0) Calculated Property
Vc 1.122 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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

Find more compounds similar to Isonipecotinoylisonipecotic acid, N'-(2,4-difluorobenzoyl)-, 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.