Chemical Properties of 4-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester

4-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester

InChI
InChI=1S/C16H15ClO3S/c1-21-13-8-6-12(7-9-13)16(18)20-11-10-19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3
InChI Key
BSMSMZBEJKVDFL-UHFFFAOYSA-N
Formula
C16H15ClO3S
SMILES
CSc1ccc(C(=O)OCCOc2ccccc2Cl)cc1
Molecular Weight1
322.81
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Physical Properties

Property Value Unit Source
ΔfusH° 38.38 kJ/mol Joback Calculated Property
log10WS -5.28 Relay (1.0) Calculated Property
logPoct/wat 4.298 Crippen Calculated Property
McVol 230.680 ml/mol McGowan Calculated Property
Pc 2155.30 kPa Joback Calculated Property
Inp [2715.00; 2715.00]   Show Hide
Inp 2715.00 NIST
Inp 2715.00 NIST
Tboil 662.47 K Relay (1.0) Calculated Property
Tfus 347.44 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 [301.14; 663.12] 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 A3.25320e+01
Coefficient B1.13021e+00
Coefficient C-5.49520e-04
Coefficient D4.99000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 301.14 J/mol×K 273.00 Calculated Property
Cp,gas 365.81 J/mol×K 353.78 Calculated Property
Cp,gas 424.00 J/mol×K 434.56 Calculated Property
Cp,gas 475.86 J/mol×K 515.33 Calculated Property
Cp,gas 521.56 J/mol×K 596.11 Calculated Property
Cp,gas 561.26 J/mol×K 676.89 Calculated Property
Cp,gas 595.10 J/mol×K 757.67 Calculated Property
Cp,gas 623.26 J/mol×K 838.44 Calculated Property
Cp,gas 645.88 J/mol×K 919.22 Calculated Property
Cp,gas 663.12 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester. Benzoic acid, 2-(2-chlorophenoxy)ethyl ester. Phthalic acid, di(2-(4-chlorophenoxy)ethyl) ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl ethyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl propyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl isobutyl ester. Phthalic acid, butyl 2-(4-chlorophenoxy)ethyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl pentyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl heptyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl tridecyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl decyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl undecyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl nonyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl octyl ester. Phthalic acid, 2-(4-chlorophenoxy)ethyl tetradecyl ester.

Find more compounds similar to 4-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester.

Sources

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