Chemical Properties of Terephthalic acid, 4-chloro-2-methylbenzyl heptyl ester

Terephthalic acid, 4-chloro-2-methylbenzyl heptyl ester

InChI
InChI=1S/C23H27ClO4/c1-3-4-5-6-7-14-27-22(25)18-8-10-19(11-9-18)23(26)28-16-20-12-13-21(24)15-17(20)2/h8-13,15H,3-7,14,16H2,1-2H3
InChI Key
JIHGISJHPCNBCU-UHFFFAOYSA-N
Formula
C23H27ClO4
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2C)cc1
Molecular Weight1
402.91
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Physical Properties

Property Value Unit Source
ω 1.0298 Relay (1.0) Calculated Property
ΔfusH° 55.18 kJ/mol Joback Calculated Property
log10WS -6.96 Relay (1.0) Calculated Property
logPoct/wat 6.133 Crippen Calculated Property
McVol 314.530 ml/mol McGowan Calculated Property
Pc 1243.33 kPa Joback Calculated Property
Tboil 694.17 K Relay (1.0) Calculated Property
Tc 938.42 K Relay (1.0) Calculated Property
Tfus 312.47 K Relay (1.0) Calculated Property
Vc 1.155 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 [966.66; 1022.92] J/mol×K [948.01; 1171.34] Show Hide
Cp,gas 966.66 J/mol×K 948.01 Joback Calculated Property
Cp,gas 979.53 J/mol×K 985.23 Joback Calculated Property
Cp,gas 990.95 J/mol×K 1022.45 Joback Calculated Property
Cp,gas 1000.96 J/mol×K 1059.67 Joback Calculated Property
Cp,gas 1009.60 J/mol×K 1096.89 Joback Calculated Property
Cp,gas 1016.90 J/mol×K 1134.11 Joback Calculated Property
Cp,gas 1022.92 J/mol×K 1171.34 Joback Calculated Property
η [0.0000246; 0.0003020] Pa×s [553.95; 948.01] Show Hide
η 0.0003020 Pa×s 553.95 Joback Calculated Property
η 0.0001594 Pa×s 619.63 Joback Calculated Property
η 0.0000951 Pa×s 685.30 Joback Calculated Property
η 0.0000621 Pa×s 750.98 Joback Calculated Property
η 0.0000434 Pa×s 816.66 Joback Calculated Property
η 0.0000320 Pa×s 882.33 Joback Calculated Property
η 0.0000246 Pa×s 948.01 Joback Calculated Property

Similar Compounds

Terephthalic acid, 4-chloro-2-methylbenzyl octyl ester. Terephthalic acid, 4-chloro-2-methylbenzyl hexyl ester. Terephthalic acid, 4-chloro-2-methylbenzyl pentyl ester. Terephthalic acid, butyl 4-chloro-2-methylbenzyl ester. Phthalic acid, 2-methylbenzyl pentadecyl ester. Phthalic acid, 2-methylbenzyl undecyl ester. Phthalic acid, 2-methylbenzyl nonyl ester. Phthalic acid, dodecyl 2-methylbenzyl ester. Phthalic acid, 2-methylbenzyl octyl ester. Phthalic acid, hexadecyl 2-methylbenzyl ester. Phthalic acid, 2-methylbenzyl tetradecyl ester. Phthalic acid, 2-methylbenzyl tridecyl ester. Phthalic acid, decyl 2-methylbenzyl ester. Terephthalic acid, 4-chloro-2-methylbenzyl propyl ester. Phthalic acid, heptyl 2-methylbenzyl ester.

Find more compounds similar to Terephthalic acid, 4-chloro-2-methylbenzyl heptyl ester.

Sources

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