Chemical Properties of Trimellitic acid, 2,2,4-trimethylpentyl ester (CAS 53046-84-7)

Trimellitic acid, 2,2,4-trimethylpentyl ester

InChI
InChI=1S/C33H54O6/c1-22(2)16-31(7,8)19-37-28(34)25-13-14-26(29(35)38-20-32(9,10)17-23(3)4)27(15-25)30(36)39-21-33(11,12)18-24(5)6/h13-15,22-24H,16-21H2,1-12H3
InChI Key
GFNQLDIWJXUYKC-UHFFFAOYSA-N
Formula
C33H54O6
SMILES
CC(C)CC(C)(C)COC(=O)c1ccc(C(=O)OCC(C)(C)CC(C)C)c(C(=O)OCC(C)(C)CC(C)C)c1
Molecular Weight1
546.78
CAS
53046-84-7
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Physical Properties

Property Value Unit Source
ΔfusH° 54.78 kJ/mol Joback Calculated Property
log10WS -8.66 Relay (1.0) Calculated Property
logPoct/wat 8.374 Crippen Calculated Property
McVol 474.390 ml/mol McGowan Calculated Property
Tboil 723.74 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [1697.66; 1765.12] J/mol×K [1154.93; 1425.46] Show Hide
Cp,gas 1697.66 J/mol×K 1154.93 Joback Calculated Property
Cp,gas 1712.94 J/mol×K 1200.02 Joback Calculated Property
Cp,gas 1726.31 J/mol×K 1245.11 Joback Calculated Property
Cp,gas 1737.99 J/mol×K 1290.20 Joback Calculated Property
Cp,gas 1748.21 J/mol×K 1335.29 Joback Calculated Property
Cp,gas 1757.18 J/mol×K 1380.38 Joback Calculated Property
Cp,gas 1765.12 J/mol×K 1425.46 Joback Calculated Property
η [0.0000009; 0.0000664] Pa×s [602.38; 1154.93] Show Hide
η 0.0000664 Pa×s 602.38 Joback Calculated Property
η 0.0000204 Pa×s 694.47 Joback Calculated Property
η 0.0000083 Pa×s 786.56 Joback Calculated Property
η 0.0000041 Pa×s 878.65 Joback Calculated Property
η 0.0000023 Pa×s 970.75 Joback Calculated Property
η 0.0000014 Pa×s 1062.84 Joback Calculated Property
η 0.0000009 Pa×s 1154.93 Joback Calculated Property

Similar Compounds

Phthalic acid, isobutyl 2,4,4-trimethylpentyl ester. Phthalic acid, di(2,4,4-trimethylpentyl) ester. 1,2,4-BENZENETRICARBOXYLIC ACID, TRIS(2-ETHYLHEXYL) ESTER. Phthalic acid, pentyl 2,4,4-trimethylpentyl ester. Phthalic acid, butyl 2,4,4-trimethylpentyl ester. Phthalic acid, hexyl 2,4,4-trimethylpentyl ester. Phthalic acid, decyl 2,4,4-trimethylpentyl ester. Phthalic acid, octadecyl 2,4,4-trimethylpentyl ester. Phthalic acid, 2,4,4-trimethylpentyl undecyl ester. Phthalic acid, tetradecyl 2,4,4-trimethylpentyl ester. Phthalic acid, heptadecyl 2,4,4-trimethylpentyl ester. Phthalic acid, nonyl 2,4,4-trimethylpentyl ester. Phthalic acid, octyl 2,4,4-trimethylpentyl ester. Phthalic acid, tridecyl 2,4,4-trimethylpentyl ester. Phthalic acid, pentadecyl 2,4,4-trimethylpentyl ester.

Find more compounds similar to Trimellitic acid, 2,2,4-trimethylpentyl ester.

Sources

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