Chemical Properties of Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester

Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester

InChI
InChI=1S/C29H48O4S/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(6-2,7-3)28(31)33-25-22-19-20-23-26(25)34-4/h19-20,22-23H,5-18,21,24H2,1-4H3
InChI Key
MYAQQTCWJAFKST-UHFFFAOYSA-N
Formula
C29H48O4S
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC
Molecular Weight1
492.75
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Physical Properties

Property Value Unit Source
ΔfusH° 66.81 kJ/mol Joback Calculated Property
log10WS -7.74 Relay (1.0) Calculated Property
logPoct/wat 8.755 Crippen Calculated Property
McVol 426.940 ml/mol McGowan Calculated Property
Pc 789.93 kPa Joback Calculated Property
Inp 3395.00 NIST
Tboil 698.49 K Relay (1.0) Calculated Property
Tfus 328.07 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 [1489.15; 1559.05] J/mol×K [1112.71; 1369.55] Show Hide
Cp,gas 1489.15 J/mol×K 1112.71 Joback Calculated Property
Cp,gas 1505.17 J/mol×K 1155.52 Joback Calculated Property
Cp,gas 1519.28 J/mol×K 1198.32 Joback Calculated Property
Cp,gas 1531.61 J/mol×K 1241.13 Joback Calculated Property
Cp,gas 1542.26 J/mol×K 1283.94 Joback Calculated Property
Cp,gas 1551.37 J/mol×K 1326.74 Joback Calculated Property
Cp,gas 1559.05 J/mol×K 1369.55 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hexyl 2-methylthiophenyl ester. Diethylmalonic acid, heptyl 2-methylthiophenyl ester. Diethylmalonic acid, hexadecyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester. Diethylmalonic acid, dodecyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl octyl ester. Diethylmalonic acid, 2-methylthiophenyl nonyl ester. Diethylmalonic acid, 2-methylthiophenyl tridecyl ester. Diethylmalonic acid, decyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl pentyl ester. Diethylmalonic acid, butyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl propyl ester. Diethylmalonic acid, isobutyl 2-methylthiophenyl ester. Diethylmalonic acid, decyl 2-fluorophenyl ester. Diethylmalonic acid, 2-fluorophenyl octadecyl ester.

Find more compounds similar to Diethylmalonic acid, 2-methylthiophenyl pentadecyl ester.

Sources

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