Chemical Properties of Diethylmalonic acid, 2-methylthiophenyl nonyl ester

Diethylmalonic acid, 2-methylthiophenyl nonyl ester

InChI
InChI=1S/C23H36O4S/c1-5-8-9-10-11-12-15-18-26-21(24)23(6-2,7-3)22(25)27-19-16-13-14-17-20(19)28-4/h13-14,16-17H,5-12,15,18H2,1-4H3
InChI Key
ZOMSKPCGXGZNIL-UHFFFAOYSA-N
Formula
C23H36O4S
SMILES
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC
Molecular Weight1
408.60
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Physical Properties

Property Value Unit Source
ΔfusH° 51.27 kJ/mol Joback Calculated Property
log10WS -6.05 Relay (1.0) Calculated Property
logPoct/wat 6.414 Crippen Calculated Property
McVol 342.400 ml/mol McGowan Calculated Property
Pc 1124.57 kPa Joback Calculated Property
Inp [2759.00; 2759.00]   Show Hide
Inp 2759.00 NIST
Inp 2759.00 NIST
Tboil 657.54 K Relay (1.0) Calculated Property
Tfus 321.51 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 [1117.30; 1187.36] J/mol×K [975.43; 1197.51] Show Hide
Cp,gas 1117.30 J/mol×K 975.43 Joback Calculated Property
Cp,gas 1132.35 J/mol×K 1012.44 Joback Calculated Property
Cp,gas 1145.97 J/mol×K 1049.46 Joback Calculated Property
Cp,gas 1158.22 J/mol×K 1086.47 Joback Calculated Property
Cp,gas 1169.17 J/mol×K 1123.48 Joback Calculated Property
Cp,gas 1178.86 J/mol×K 1160.49 Joback Calculated Property
Cp,gas 1187.36 J/mol×K 1197.51 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 pentadecyl ester. Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester. Diethylmalonic acid, dodecyl 2-methylthiophenyl ester. Diethylmalonic acid, 2-methylthiophenyl octyl 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 nonyl ester.

Sources

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