Chemical Properties of Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester

Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester

InChI
InChI=1S/C24H32O4/c1-17(2)9-8-14-27-23(25)20-10-7-11-21(16-20)24(26)28-22(15-19(5)6)13-12-18(3)4/h7,10-11,16-17,19,22H,3,8-9,14-15H2,1-2,4-6H3
InChI Key
RCRDNQVBUCCUPR-UHFFFAOYSA-N
Formula
C24H32O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
384.52
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Physical Properties

Property Value Unit Source
ΔfusH° 47.10 kJ/mol Joback Calculated Property
log10WS -6.29 Relay (1.0) Calculated Property
logPoct/wat 5.431 Crippen Calculated Property
McVol 327.240 ml/mol McGowan Calculated Property
Inp [2662.00; 2662.00]   Show Hide
Inp 2662.00 NIST
Inp 2662.00 NIST
Tboil 648.18 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 [1036.46; 1111.70] J/mol×K [937.00; 1158.44] Show Hide
Cp,gas 1036.46 J/mol×K 937.00 Joback Calculated Property
Cp,gas 1052.32 J/mol×K 973.91 Joback Calculated Property
Cp,gas 1066.79 J/mol×K 1010.81 Joback Calculated Property
Cp,gas 1079.92 J/mol×K 1047.72 Joback Calculated Property
Cp,gas 1091.75 J/mol×K 1084.62 Joback Calculated Property
Cp,gas 1102.33 J/mol×K 1121.53 Joback Calculated Property
Cp,gas 1111.70 J/mol×K 1158.44 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester.

Find more compounds similar to Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester.

Sources

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