Chemical Properties of Diethylmalonic acid, hexadecyl 2-methylthiophenyl ester

Diethylmalonic acid, hexadecyl 2-methylthiophenyl ester

InChI
InChI=1S/C30H50O4S/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-25-33-28(31)30(6-2,7-3)29(32)34-26-23-20-21-24-27(26)35-4/h20-21,23-24H,5-19,22,25H2,1-4H3
InChI Key
JZSYIMPVWQQFOX-UHFFFAOYSA-N
Formula
C30H50O4S
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC
Molecular Weight1
506.78
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Physical Properties

Property Value Unit Source
ΔfusH° 72.56 kJ/mol Joback Calculated Property
log10WS -8.02 Relay (1.0) Calculated Property
logPoct/wat 9.145 Crippen Calculated Property
McVol 441.030 ml/mol McGowan Calculated Property
Pc 716.45 kPa Joback Calculated Property
Inp [3549.00; 3549.00]   Show Hide
Inp 3549.00 NIST
Inp 3549.00 NIST
Tboil 705.04 K Relay (1.0) Calculated Property
Tfus 322.05 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 [1535.66; 1602.49] J/mol×K [1099.65; 1354.74] Show Hide
Cp,gas 1535.66 J/mol×K 1099.65 Joback Calculated Property
Cp,gas 1551.50 J/mol×K 1142.16 Joback Calculated Property
Cp,gas 1565.29 J/mol×K 1184.68 Joback Calculated Property
Cp,gas 1577.15 J/mol×K 1227.19 Joback Calculated Property
Cp,gas 1587.22 J/mol×K 1269.71 Joback Calculated Property
Cp,gas 1595.63 J/mol×K 1312.22 Joback Calculated Property
Cp,gas 1602.49 J/mol×K 1354.74 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hexyl 2-methylthiophenyl ester. Diethylmalonic acid, heptyl 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 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, hexadecyl 2-methylthiophenyl ester.

Sources

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