Chemical Properties of Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) ester

Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) ester

InChI
InChI=1S/C33H40O4/c1-33(2,31(34)36-29(27-19-11-5-12-20-27)23-25-15-7-3-8-16-25)32(35)37-30(28-21-13-6-14-22-28)24-26-17-9-4-10-18-26/h5-7,9,11-15,17,19-22,25-26,29-30H,3-4,8,10,16,18,23-24H2,1-2H3
InChI Key
CBHUXZAKRXLXKL-UHFFFAOYSA-N
Formula
C33H40O4
SMILES
CC(C)(C(=O)OC(CC1C=CCCC1)c1ccccc1)C(=O)OC(CC1C=CCCC1)c1ccccc1
Molecular Weight1
500.68
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
Δfus 49.70 kJ/mol Joback Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
logPoct/wat 8.074 Crippen Calculated Property
McVol 412.870 ml/mol McGowan Calculated Property
Inp [3400.00; 3400.00]   Show Hide
Inp 3400.00 NIST
Inp 3400.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [1469.69; 1515.76] J/mol×K [1157.75; 1422.30] Show Hide
Cp,gas 1469.69 J/mol×K 1157.75 Joback Calculated Property
Cp,gas 1481.09 J/mol×K 1201.84 Joback Calculated Property
Cp,gas 1490.72 J/mol×K 1245.93 Joback Calculated Property
Cp,gas 1498.78 J/mol×K 1290.03 Joback Calculated Property
Cp,gas 1505.50 J/mol×K 1334.12 Joback Calculated Property
Cp,gas 1511.09 J/mol×K 1378.21 Joback Calculated Property
Cp,gas 1515.76 J/mol×K 1422.30 Joback Calculated Property
η [0.0000043; 0.0002086] Pa×s [587.87; 1157.75] Show Hide
η 0.0002086 Pa×s 587.87 Joback Calculated Property
η 0.0000696 Pa×s 682.85 Joback Calculated Property
η 0.0000304 Pa×s 777.83 Joback Calculated Property
η 0.0000159 Pa×s 872.81 Joback Calculated Property
η 0.0000094 Pa×s 967.79 Joback Calculated Property
η 0.0000061 Pa×s 1062.77 Joback Calculated Property
η 0.0000043 Pa×s 1157.75 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, ethyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, decyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl tridecyl ester. Dimethylmalonic acid, hexyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl ester. Dimethylmalonic acid, butyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl undecyl ester. Dimethylmalonic acid, dodecyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, nonyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, octyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, heptyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Glutaric acid, isobutyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester. Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl pentyl ester. Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl hexyl ester.

Find more compounds similar to Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) 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.