Chemical Properties of 2,6-Pyridinedicarboxylic acid, diphenethyl ester

2,6-Pyridinedicarboxylic acid, diphenethyl ester

InChI
InChI=1S/C23H21NO4/c25-22(27-16-14-18-8-3-1-4-9-18)20-12-7-13-21(24-20)23(26)28-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2
InChI Key
RRGBJJFILZVCBH-UHFFFAOYSA-N
Formula
C23H21NO4
SMILES
O=C(OCCc1ccccc1)c1cccc(C(=O)OCCc2ccccc2)n1
Molecular Weight1
375.42
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
ΔvapH° 127.12 kJ/mol Relay (1.0) Calculated Property
IE 8.42 eV Relay (1.0) Calculated Property
log10WS -5.01 Relay (1.0) Calculated Property
logPoct/wat 3.881 Crippen Calculated Property
McVol 288.510 ml/mol McGowan Calculated Property
Pc 1675.13 kPa Relay (1.0-beta) Calculated Property
Inp [3095.00; 3095.00]   Show Hide
Inp 3095.00 NIST
Inp 3095.00 NIST
Tboil 724.96 K Relay (1.0) Calculated Property
Tfus 341.63 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

2,6-Pyridinedicarboxylic acid, ethyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, isobutyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, butyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, pentyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, hexyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, nonyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, dodecyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, phenethyl tridecyl ester. 2,6-Pyridinedicarboxylic acid, heptyl phenethyl ester. 2,6-Pyridinedicarboxylic acid, octyl phenethyl ester. Nicotinic acid, 2-phenylethyl ester. Isophthalic acid, phenylethyl propyl ester. Isophthalic acid, isobutyl phenylethyl ester. 2,6-Pyridinedicarboxylic acid, 2-methylphenyl propyl ester. Isophthalic acid, butyl phenylethyl ester.

Find more compounds similar to 2,6-Pyridinedicarboxylic acid, diphenethyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.