Chemical Properties of Dimethylmalonic acid, 3-methylphenyl pentyl ester

Dimethylmalonic acid, 3-methylphenyl pentyl ester

InChI
InChI=1S/C17H24O4/c1-5-6-7-11-20-15(18)17(3,4)16(19)21-14-10-8-9-13(2)12-14/h8-10,12H,5-7,11H2,1-4H3
InChI Key
UKQBHTRCKBDOMX-UHFFFAOYSA-N
Formula
C17H24O4
SMILES
CCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C)c1
Molecular Weight1
292.37
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° 34.76 kJ/mol Joback Calculated Property
IE 8.48 eV Relay (1.0) Calculated Property
log10WS -4.26 Relay (1.0) Calculated Property
logPoct/wat 3.660 Crippen Calculated Property
McVol 241.510 ml/mol McGowan Calculated Property
Pc 1593.62 kPa Joback Calculated Property
Inp [1927.00; 1927.00]   Show Hide
Inp 1927.00 NIST
Inp 1927.00 NIST
Tboil 588.69 K Relay (1.0) Calculated Property
Tfus 274.25 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 [694.80; 775.38] J/mol×K [733.43; 937.73] Show Hide
Cp,gas 694.80 J/mol×K 733.43 Joback Calculated Property
Cp,gas 711.03 J/mol×K 767.48 Joback Calculated Property
Cp,gas 726.10 J/mol×K 801.53 Joback Calculated Property
Cp,gas 740.03 J/mol×K 835.58 Joback Calculated Property
Cp,gas 752.86 J/mol×K 869.63 Joback Calculated Property
Cp,gas 764.63 J/mol×K 903.68 Joback Calculated Property
Cp,gas 775.38 J/mol×K 937.73 Joback Calculated Property
η [0.0000537; 0.0012895] Pa×s [407.37; 733.43] Show Hide
η 0.0012895 Pa×s 407.37 Joback Calculated Property
η 0.0005557 Pa×s 461.71 Joback Calculated Property
η 0.0002860 Pa×s 516.06 Joback Calculated Property
η 0.0001670 Pa×s 570.40 Joback Calculated Property
η 0.0001071 Pa×s 624.74 Joback Calculated Property
η 0.0000737 Pa×s 679.09 Joback Calculated Property
η 0.0000537 Pa×s 733.43 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, hexyl 3-methylphenyl ester. Dimethylmalonic acid, 3-methylphenyl octyl ester. Dimethylmalonic acid, 3-methylphenyl nonyl ester. Dimethylmalonic acid, heptyl 3-methylphenyl ester. Dimethylmalonic acid, isohexyl 3-methylphenyl ester. Diethylmalonic acid, pentyl 3-methylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl pentyl ester. Diethylmalonic acid, dodecyl 3-methylphenyl ester. Diethylmalonic acid, 3-methylphenyl nonyl ester. Diethylmalonic acid, 3-methylphenyl octadecyl ester. Diethylmalonic acid, heptadecyl 3-methylphenyl ester. Diethylmalonic acid, heptyl 3-methylphenyl ester. Diethylmalonic acid, 3-methylphenyl tetradecyl ester. Diethylmalonic acid, hexyl 3-methylphenyl ester. Diethylmalonic acid, hexadecyl 3-methylphenyl ester.

Find more compounds similar to Dimethylmalonic acid, 3-methylphenyl pentyl 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.