Chemical Properties of Diethylmalonic acid, 3-methoxyphenyl octyl ester

Diethylmalonic acid, 3-methoxyphenyl octyl ester

InChI
InChI=1S/C22H34O5/c1-5-8-9-10-11-12-16-26-20(23)22(6-2,7-3)21(24)27-19-15-13-14-18(17-19)25-4/h13-15,17H,5-12,16H2,1-4H3
InChI Key
MZFRTNKGSFHKAG-UHFFFAOYSA-N
Formula
C22H34O5
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(OC)c1
Molecular Weight1
378.50
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° 48.90 kJ/mol Joback Calculated Property
IE 8.33 eV Relay (1.0) Calculated Property
log10WS -5.67 Relay (1.0) Calculated Property
logPoct/wat 5.311 Crippen Calculated Property
McVol 317.830 ml/mol McGowan Calculated Property
Pc 1109.63 kPa Joback Calculated Property
Inp 2507.00 NIST
Tboil 650.22 K Relay (1.0) Calculated Property
Tfus 311.04 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 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 [1013.58; 1091.83] J/mol×K [870.25; 1072.80] Show Hide
Cp,gas 1013.58 J/mol×K 870.25 Joback Calculated Property
Cp,gas 1029.87 J/mol×K 904.01 Joback Calculated Property
Cp,gas 1044.81 J/mol×K 937.77 Joback Calculated Property
Cp,gas 1058.44 J/mol×K 971.52 Joback Calculated Property
Cp,gas 1070.80 J/mol×K 1005.28 Joback Calculated Property
Cp,gas 1081.92 J/mol×K 1039.04 Joback Calculated Property
Cp,gas 1091.83 J/mol×K 1072.80 Joback Calculated Property
η [0.0000185; 0.0004471] Pa×s [485.95; 870.25] Show Hide
η 0.0004471 Pa×s 485.95 Joback Calculated Property
η 0.0001930 Pa×s 550.00 Joback Calculated Property
η 0.0000993 Pa×s 614.05 Joback Calculated Property
η 0.0000579 Pa×s 678.10 Joback Calculated Property
η 0.0000370 Pa×s 742.15 Joback Calculated Property
η 0.0000255 Pa×s 806.20 Joback Calculated Property
η 0.0000185 Pa×s 870.25 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, heptyl 3-methoxyphenyl ester. Diethylmalonic acid, 3-methoxyphenyl nonyl ester. Diethylmalonic acid, hexyl 3-methoxyphenyl ester. Diethylmalonic acid, 3-methoxyphenyl pentyl ester. Diethylmalonic acid, butyl 3-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl octyl ester. Diethylmalonic acid, 4-methoxyphenyl nonyl ester. Diethylmalonic acid, heptyl 4-methoxyphenyl ester. Diethylmalonic acid, decyl 4-methoxyphenyl ester. Diethylmalonic acid, hexyl 4-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl pentyl ester. Diethylmalonic acid, 3-methoxyphenyl propyl ester. Diethylmalonic acid, decyl 2,6-dimethoxyphenyl ester. Diethylmalonic acid, 2,6-dimethoxyphenyl heptyl ester. Diethylmalonic acid, 2,6-dimethoxyphenyl nonyl ester.

Find more compounds similar to Diethylmalonic acid, 3-methoxyphenyl octyl 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.