Chemical Properties of Diethylmalonic acid, 3,7-dimethyloctyl isobutyl ester

Diethylmalonic acid, 3,7-dimethyloctyl isobutyl ester

InChI
InChI=1S/C21H40O4/c1-8-21(9-2,20(23)25-15-17(5)6)19(22)24-14-13-18(7)12-10-11-16(3)4/h16-18H,8-15H2,1-7H3
InChI Key
FDLIFGVJKZJDAD-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CCC(CC)(C(=O)OCCC(C)CCCC(C)C)C(=O)OCC(C)C
Molecular Weight1
356.54
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
ΔfH°gas -1119.54 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.90 kJ/mol Joback Calculated Property
ΔvapH° 91.15 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.388 Crippen Calculated Property
McVol 321.630 ml/mol McGowan Calculated Property
Inp 2018.00 NIST
Tboil 598.13 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1015.15; 1112.80] J/mol×K [791.97; 977.35] Show Hide
Cp,gas 1015.15 J/mol×K 791.97 Joback Calculated Property
Cp,gas 1034.31 J/mol×K 822.87 Joback Calculated Property
Cp,gas 1052.28 J/mol×K 853.76 Joback Calculated Property
Cp,gas 1069.07 J/mol×K 884.66 Joback Calculated Property
Cp,gas 1084.73 J/mol×K 915.55 Joback Calculated Property
Cp,gas 1099.30 J/mol×K 946.45 Joback Calculated Property
Cp,gas 1112.80 J/mol×K 977.35 Joback Calculated Property
η [0.0000227; 0.0032453] Pa×s [368.51; 791.97] Show Hide
η 0.0032453 Pa×s 368.51 Joback Calculated Property
η 0.0007297 Pa×s 439.09 Joback Calculated Property
η 0.0002481 Pa×s 509.66 Joback Calculated Property
η 0.0001096 Pa×s 580.24 Joback Calculated Property
η 0.0000578 Pa×s 650.82 Joback Calculated Property
η 0.0000346 Pa×s 721.39 Joback Calculated Property
η 0.0000227 Pa×s 791.97 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 3,7-dimethyloctyl tetradecyl ester. Diethylmalonic acid, 3,7-dimethyloctyl pentyl ester. Diethylmalonic acid, 3,7-dimethyloctyl undecyl ester. Diethylmalonic acid, butyl 3,7-dimethyloctyl ester. Diethylmalonic acid, 3,7-dimethyloctyl hexadecyl ester. Diethylmalonic acid, decyl 3,7-dimethyloctyl ester. Diethylmalonic acid, 3,7-dimethyloctyl octadecyl ester. Diethylmalonic acid, 3,7-dimethyloctyl heptyl ester. Diethylmalonic acid, 3,7-dimethyloctyl octyl ester. Diethylmalonic acid, 3,7-dimethyloctyl heptadecyl ester. Diethylmalonic acid, 3,7-dimethyloctyl hexyl ester. Diethylmalonic acid, 3,7-dimethyloctyl tridecyl ester. Diethylmalonic acid, 3,7-dimethyloctyl dodecyl ester. Diethylmalonic acid, di(3,7-dimethyloctyl) ester. Diethylmalonic acid, hexadecyl 2-methylpentyl ester.

Find more compounds similar to Diethylmalonic acid, 3,7-dimethyloctyl isobutyl 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.