Chemical Properties of Diethylmalonic acid, dodecyl 2-methylthiophenyl ester

Diethylmalonic acid, dodecyl 2-methylthiophenyl ester

InChI
InChI=1S/C26H42O4S/c1-5-8-9-10-11-12-13-14-15-18-21-29-24(27)26(6-2,7-3)25(28)30-22-19-16-17-20-23(22)31-4/h16-17,19-20H,5-15,18,21H2,1-4H3
InChI Key
UOSNZMOAEZPPFA-UHFFFAOYSA-N
Formula
C26H42O4S
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1SC
Molecular Weight1
450.67
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Physical Properties

Property Value Unit Source
ΔfusH° 62.20 kJ/mol Joback Calculated Property
log10WS -6.90 Relay (1.0) Calculated Property
logPoct/wat 7.584 Crippen Calculated Property
McVol 384.670 ml/mol McGowan Calculated Property
Pc 890.00 kPa Joback Calculated Property
Inp [3065.00; 3065.00]   Show Hide
Inp 3065.00 NIST
Inp 3065.00 NIST
Tboil 678.25 K Relay (1.0) Calculated Property
Tfus 315.76 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 [554.05; 1283.40] 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 A5.59300e+00
Coefficient B2.34607e+00
Coefficient C-1.29716e-03
Coefficient D2.28900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 554.05 J/mol×K 273.00 Calculated Property
Cp,gas 683.36 J/mol×K 353.78 Calculated Property
Cp,gas 798.92 J/mol×K 434.56 Calculated Property
Cp,gas 901.44 J/mol×K 515.33 Calculated Property
Cp,gas 991.65 J/mol×K 596.11 Calculated Property
Cp,gas 1070.28 J/mol×K 676.89 Calculated Property
Cp,gas 1138.04 J/mol×K 757.67 Calculated Property
Cp,gas 1195.67 J/mol×K 838.44 Calculated Property
Cp,gas 1243.88 J/mol×K 919.22 Calculated Property
Cp,gas 1283.40 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 pentadecyl ester. Diethylmalonic acid, 2-methylthiophenyl tetradecyl 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, dodecyl 2-methylthiophenyl ester.

Sources

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