Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl heptyl ester

Diethylmalonic acid, 2,3-dimethylphenyl heptyl ester

InChI
InChI=1S/C22H34O4/c1-6-9-10-11-12-16-25-20(23)22(7-2,8-3)21(24)26-19-15-13-14-17(4)18(19)5/h13-15H,6-12,16H2,1-5H3
InChI Key
HNXYSBKZNVBCQA-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C
Molecular Weight1
362.50
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
ΔfusH° 47.32 kJ/mol Joback Calculated Property
log10WS -5.50 Relay (1.0) Calculated Property
logPoct/wat 5.529 Crippen Calculated Property
McVol 311.960 ml/mol McGowan Calculated Property
Pc 1111.11 kPa Joback Calculated Property
Inp 2395.00 NIST
Tboil 631.65 K Relay (1.0) Calculated Property
Tfus 314.49 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [983.17; 1065.54] J/mol×K [852.81; 1054.63] Show Hide
Cp,gas 983.17 J/mol×K 852.81 Joback Calculated Property
Cp,gas 999.94 J/mol×K 886.45 Joback Calculated Property
Cp,gas 1015.45 J/mol×K 920.08 Joback Calculated Property
Cp,gas 1029.71 J/mol×K 953.72 Joback Calculated Property
Cp,gas 1042.79 J/mol×K 987.36 Joback Calculated Property
Cp,gas 1054.72 J/mol×K 1020.99 Joback Calculated Property
Cp,gas 1065.54 J/mol×K 1054.63 Joback Calculated Property
η [0.0000253; 0.0005571] Pa×s [476.24; 852.81] Show Hide
η 0.0005571 Pa×s 476.24 Joback Calculated Property
η 0.0002466 Pa×s 539.00 Joback Calculated Property
η 0.0001294 Pa×s 601.76 Joback Calculated Property
η 0.0000767 Pa×s 664.52 Joback Calculated Property
η 0.0000498 Pa×s 727.29 Joback Calculated Property
η 0.0000346 Pa×s 790.05 Joback Calculated Property
η 0.0000253 Pa×s 852.81 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 2,3-dimethylphenyl pentadecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl tetradecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl nonyl ester. Diethylmalonic acid, 2,3-dimethylphenyl octyl ester. Diethylmalonic acid, 2,3-dimethylphenyl heptadecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl tridecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl hexyl ester. Diethylmalonic acid, 2,3-dimethylphenyl hexadecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl dodecyl ester. Diethylmalonic acid, decyl 2,3-dimethylphenyl ester. Diethylmalonic acid, 2,3-dimethylphenyl octadecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl undecyl ester. Diethylmalonic acid, 2,3-dimethylphenyl pentyl ester. Diethylmalonic acid, butyl 2,3-dimethylphenyl ester. Diethylmalonic acid, 2,3-dimethylphenyl propyl ester.

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl heptyl 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.