Chemical Properties of 2,6-Pyridinedicarboxylic acid, heptyl 2-methylhex-3-yl ester

2,6-Pyridinedicarboxylic acid, heptyl 2-methylhex-3-yl ester

InChI
InChI=1S/C21H33NO4/c1-5-7-8-9-10-15-25-20(23)17-13-11-14-18(22-17)21(24)26-19(12-6-2)16(3)4/h11,13-14,16,19H,5-10,12,15H2,1-4H3
InChI Key
VAJSYITWTBHKDK-UHFFFAOYSA-N
Formula
C21H33NO4
SMILES
CCCCCCCOC(=O)c1cccc(C(=O)OC(CCC)C(C)C)n1
Molecular Weight1
363.50
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
log10WS -5.54 Relay (1.0) Calculated Property
logPoct/wat 5.190 Crippen Calculated Property
McVol 307.850 ml/mol McGowan Calculated Property
Pc 1148.13 kPa Relay (1.0-beta) Calculated Property
Inp 2457.00 NIST
Tboil 653.33 K Relay (1.0) Calculated Property
Tfus 279.45 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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, decyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl nonyl ester. 2,6-Pyridinedicarboxylic acid, hexyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, butyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 2-ethylhexyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-methylpentyl ester. 2,6-Pyridinedicarboxylic acid, isobutyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 3-methylbutyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 2-ethylbutyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 2-methylbutyl 2-methylhex-3-yl ester. 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2,4,4-trimethylpentyl ester. 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl neopentyl ester. 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-octyl ester. 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 4-octyl ester. 2,6-Pyridinedicarboxylic acid, isobutyl 4-octyl ester.

Find more compounds similar to 2,6-Pyridinedicarboxylic acid, heptyl 2-methylhex-3-yl 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.