Chemical Properties of Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester

Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester

InChI
InChI=1S/C19H28O4/c1-7-16(19(4,5)6)23-18(21)15-10-8-14(9-11-15)17(20)22-12-13(2)3/h8-11,13,16H,7,12H2,1-6H3
InChI Key
TXWWGIVPOCTAEF-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
CCC(OC(=O)c1ccc(C(=O)OCC(C)C)cc1)C(C)(C)C
Molecular Weight1
320.43
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Physical Properties

Property Value Unit Source
ΔfusH° 32.90 kJ/mol Joback Calculated Property
log10WS -5.41 Relay (1.0) Calculated Property
logPoct/wat 4.481 Crippen Calculated Property
McVol 269.690 ml/mol McGowan Calculated Property
Inp 2192.00 NIST
Tboil 621.68 K Relay (1.0) Calculated Property
Tfus 314.17 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 [808.83; 892.28] J/mol×K [778.31; 984.91] Show Hide
Cp,gas 808.83 J/mol×K 778.31 Joback Calculated Property
Cp,gas 825.81 J/mol×K 812.74 Joback Calculated Property
Cp,gas 841.52 J/mol×K 847.18 Joback Calculated Property
Cp,gas 855.97 J/mol×K 881.61 Joback Calculated Property
Cp,gas 869.22 J/mol×K 916.04 Joback Calculated Property
Cp,gas 881.31 J/mol×K 950.47 Joback Calculated Property
Cp,gas 892.28 J/mol×K 984.91 Joback Calculated Property
η [0.0000337; 0.0016054] Pa×s [399.91; 778.31] Show Hide
η 0.0016054 Pa×s 399.91 Joback Calculated Property
η 0.0005439 Pa×s 462.98 Joback Calculated Property
η 0.0002389 Pa×s 526.04 Joback Calculated Property
η 0.0001251 Pa×s 589.11 Joback Calculated Property
η 0.0000743 Pa×s 652.18 Joback Calculated Property
η 0.0000483 Pa×s 715.24 Joback Calculated Property
η 0.0000337 Pa×s 778.31 Joback Calculated Property

Similar Compounds

Terephthalic acid, 4,4-dimethylpent-2-yl propyl ester. Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester. Terephthalic acid, di(4,4-dimethylpent-2-yl) ester. Terephthalic acid, butyl 4,4-dimethylpent-3-yl ester. Terephthalic acid, isobutyl 2-methylpent-3-yl ester. Terephthalic acid, 4,4-dimethylpent-2-yl pentyl ester. Terephthalic acid, 4,4-dimethylpent-2-yl hexyl ester. Terephthalic acid, ethyl 2-methylpent-3-yl ester. Terephthalic acid, 4,4-dimethylpent-2-yl heptyl ester. Terephthalic acid, 4,4-dimethylpent-3-yl octyl ester. Terephthalic acid, di(2-methylpent-3-yl) ester. Terephthalic acid, butyl 2-methylpent-3-yl ester. Terephthalic acid, isohexyl 2-methylpent-3-yl ester. Terephthalic acid, hexyl 2-methylpent-3-yl ester. Terephthalic acid, heptyl 2-methylpent-3-yl ester.

Find more compounds similar to Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester.

Sources

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