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° 69.97 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 754.74 kPa Joback Calculated Property
Inp [3395.00; 3395.00]   Show Hide
Inp 3395.00 NIST
Inp 3395.00 NIST
Tboil 698.49 K Relay (1.0) Calculated Property
Tfus 320.61 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [617.69; 1438.18] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.86600e+00
Coefficient B2.63107e+00
Coefficient C-1.46036e-03
Coefficient D2.64600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 617.69 J/mol×K 273.00 Calculated Property
Cp,gas 762.62 J/mol×K 353.78 Calculated Property
Cp,gas 892.15 J/mol×K 434.56 Calculated Property
Cp,gas 1007.13 J/mol×K 515.33 Calculated Property
Cp,gas 1108.39 J/mol×K 596.11 Calculated Property
Cp,gas 1196.76 J/mol×K 676.89 Calculated Property
Cp,gas 1273.09 J/mol×K 757.67 Calculated Property
Cp,gas 1338.21 J/mol×K 838.44 Calculated Property
Cp,gas 1392.96 J/mol×K 919.22 Calculated Property
Cp,gas 1438.18 J/mol×K 1000.00 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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