Chemical Properties of Terephthalic acid, isohexyl 4-methylthiophenyl ester

Terephthalic acid, isohexyl 4-methylthiophenyl ester

InChI
InChI=1S/C21H24O4S/c1-15(2)5-4-14-24-20(22)16-6-8-17(9-7-16)21(23)25-18-10-12-19(26-3)13-11-18/h6-13,15H,4-5,14H2,1-3H3
InChI Key
XUAZSXDPZFCCTR-UHFFFAOYSA-N
Formula
C21H24O4S
SMILES
CSc1ccc(OC(=O)c2ccc(C(=O)OCCCC(C)C)cc2)cc1
Molecular Weight1
372.48
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Physical Properties

Property Value Unit Source
ω 0.9318 Relay (1.0) Calculated Property
ΔfusH° 46.79 kJ/mol Joback Calculated Property
log10WS -5.98 Relay (1.0) Calculated Property
logPoct/wat 5.221 Crippen Calculated Property
McVol 290.460 ml/mol McGowan Calculated Property
Pc 1517.57 kPa Joback Calculated Property
Inp [3130.00; 3130.00]   Show Hide
Inp 3130.00 NIST
Inp 3130.00 NIST
Tboil 696.23 K Relay (1.0) Calculated Property
Tc 927.64 K Relay (1.0) Calculated Property
Tfus 335.69 K Relay (1.0) Calculated Property
Vc 1.030 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [881.23; 932.38] J/mol×K [928.18; 1162.76] Show Hide
Cp,gas 881.23 J/mol×K 928.18 Joback Calculated Property
Cp,gas 893.74 J/mol×K 967.28 Joback Calculated Property
Cp,gas 904.61 J/mol×K 1006.37 Joback Calculated Property
Cp,gas 913.88 J/mol×K 1045.47 Joback Calculated Property
Cp,gas 921.57 J/mol×K 1084.57 Joback Calculated Property
Cp,gas 927.73 J/mol×K 1123.66 Joback Calculated Property
Cp,gas 932.38 J/mol×K 1162.76 Joback Calculated Property

Similar Compounds

Terephthalic acid, 4-methylthiophenyl pentyl ester. Terephthalic acid, hexyl 4-methylthiophenyl ester. Terephthalic acid, heptyl 4-methylthiophenyl ester. Terephthalic acid, butyl 4-methylthiophenyl ester. Phthalic acid, dodecyl 4-methylthiophenyl ester. Isophthalic acid, isohexyl phenyl ester. Isophthalic acid, 4-bromophenyl isohexyl ester. Isophthalic acid, 4-formylphenyl isohexyl ester. Terephthalic acid, 3-methoxyphenyl octyl ester. Terephthalic acid, heptyl 3-methoxyphenyl ester. Terephthalic acid, 3-methoxyphenyl nonyl ester. Isophthalic acid, isohexyl 4-methoxyphenyl ester. Terephthalic acid, hexyl 3-methoxyphenyl ester. Terephthalic acid, 3-methoxyphenyl pentyl ester. Isophthalic acid, 2-fluorophenyl isohexyl ester.

Find more compounds similar to Terephthalic acid, isohexyl 4-methylthiophenyl ester.

Sources

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