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

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

InChI
InChI=1S/C23H30O4/c1-6-7-8-14-26-22(24)19-10-9-11-20(16-19)23(25)27-21(15-18(4)5)13-12-17(2)3/h9-11,16,18,21H,2,6-8,14-15H2,1,3-5H3
InChI Key
SVMQKZQUVJPWMH-UHFFFAOYSA-N
Formula
C23H30O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCCC)c1
Molecular Weight1
370.48
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Physical Properties

Property Value Unit Source
ω 0.8760 Relay (1.0) Calculated Property
ΔfusH° 51.20 kJ/mol Joback Calculated Property
log10WS -6.05 Relay (1.0) Calculated Property
logPoct/wat 5.185 Crippen Calculated Property
McVol 313.150 ml/mol McGowan Calculated Property
Pc 1208.15 kPa Joback Calculated Property
Inp [2610.00; 2610.00]   Show Hide
Inp 2610.00 NIST
Inp 2610.00 NIST
Tboil 642.41 K Relay (1.0) Calculated Property
Tc 852.64 K Relay (1.0) Calculated Property
Tfus 288.92 K Relay (1.0) Calculated Property
Vc 1.119 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 [963.11; 1038.92] J/mol×K [878.62; 1093.13] Show Hide
Cp,gas 963.11 J/mol×K 878.62 Joback Calculated Property
Cp,gas 979.07 J/mol×K 914.37 Joback Calculated Property
Cp,gas 993.65 J/mol×K 950.12 Joback Calculated Property
Cp,gas 1006.88 J/mol×K 985.88 Joback Calculated Property
Cp,gas 1018.81 J/mol×K 1021.63 Joback Calculated Property
Cp,gas 1029.47 J/mol×K 1057.38 Joback Calculated Property
Cp,gas 1038.92 J/mol×K 1093.13 Joback Calculated Property

Similar Compounds

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

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

Sources

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