Chemical Properties of Terephthalic acid, di((5-ethyl-1,3-dioxan-5-yl)methyl) ester

Terephthalic acid, di((5-ethyl-1,3-dioxan-5-yl)methyl) ester

InChI
InChI=1S/C22H30O8/c1-3-21(9-25-15-26-10-21)13-29-19(23)17-5-7-18(8-6-17)20(24)30-14-22(4-2)11-27-16-28-12-22/h5-8H,3-4,9-16H2,1-2H3
InChI Key
PXJAMMPILFAJIR-UHFFFAOYSA-N
Formula
C22H30O8
SMILES
CCC1(COC(=O)c2ccc(C(=O)OCC3(CC)COCOC3)cc2)COCOC1
Molecular Weight1
422.47
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Physical Properties

Property Value Unit Source
ΔfusH° 58.12 kJ/mol Joback Calculated Property
log10WS -4.17 Relay (1.0) Calculated Property
logPoct/wat 2.802 Crippen Calculated Property
McVol 313.720 ml/mol McGowan Calculated Property
Inp [3664.00; 3664.00]   Show Hide
Inp 3664.00 NIST
Inp 3664.00 NIST
Tboil 722.35 K Relay (1.0) Calculated Property
Tfus 358.63 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1110.98; 1263.05] J/mol×K [998.44; 1241.96] Show Hide
Cp,gas 1110.98 J/mol×K 998.44 Joback Calculated Property
Cp,gas 1134.40 J/mol×K 1039.03 Joback Calculated Property
Cp,gas 1158.21 J/mol×K 1079.61 Joback Calculated Property
Cp,gas 1182.70 J/mol×K 1120.20 Joback Calculated Property
Cp,gas 1208.14 J/mol×K 1160.79 Joback Calculated Property
Cp,gas 1234.83 J/mol×K 1201.37 Joback Calculated Property
Cp,gas 1263.05 J/mol×K 1241.96 Joback Calculated Property

Similar Compounds

Phthalic acid, di(5-ethyl-1,3-dioxan-5-yl) ester. Phthalic acid, ethyl 5-ethyl-1,3-dioxan-5-yl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl isobutyl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl propyl ester. Phthalic acid, butyl 5-ethyl-1,3-dioxan-5-yl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl pentyl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl hexyl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl heptyl ester. Phthalic acid, decyl 5-ethyl-1,3-dioxan-5-yl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl octyl ester. Phthalic acid, dodecyl 5-ethyl-1,3-dioxan-5-yl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl nonyl ester. Phthalic acid, 5-ethyl-1,3-dioxan-5-yl undecyl ester. Terephthalic acid, butyl 2,4,4-trimethylpentyl ester. Terephthalic acid, propyl 2,4,4-trimethylpentyl ester.

Find more compounds similar to Terephthalic acid, di((5-ethyl-1,3-dioxan-5-yl)methyl) ester.

Sources

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