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

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

InChI
InChI=1S/C24H32O4/c1-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22(16-19(4)5)14-13-18(2)3/h10-12,17,19,22H,2,6-9,15-16H2,1,3-5H3
InChI Key
BSLJRCRKECWHSP-UHFFFAOYSA-N
Formula
C24H32O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCCCC)c1
Molecular Weight1
384.51
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Physical Properties

Property Value Unit Source
ω 0.9165 Relay (1.0) Calculated Property
ΔfusH° 53.79 kJ/mol Joback Calculated Property
log10WS -6.35 Relay (1.0) Calculated Property
logPoct/wat 5.575 Crippen Calculated Property
McVol 327.240 ml/mol McGowan Calculated Property
Pc 1131.38 kPa Joback Calculated Property
Inp [2706.00; 2706.00]   Show Hide
Inp 2706.00 NIST
Inp 2706.00 NIST
Tboil 650.62 K Relay (1.0) Calculated Property
Tc 861.09 K Relay (1.0) Calculated Property
Tfus 288.44 K Relay (1.0) Calculated Property
Vc 1.173 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [465.40; 1063.34] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.37960e+01
Coefficient B1.87778e+00
Coefficient C-9.96220e-04
Coefficient D1.57980e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 465.40 J/mol×K 273.00 Calculated Property
Cp,gas 570.42 J/mol×K 353.78 Calculated Property
Cp,gas 664.63 J/mol×K 434.56 Calculated Property
Cp,gas 748.53 J/mol×K 515.33 Calculated Property
Cp,gas 822.62 J/mol×K 596.11 Calculated Property
Cp,gas 887.39 J/mol×K 676.89 Calculated Property
Cp,gas 943.35 J/mol×K 757.67 Calculated Property
Cp,gas 990.99 J/mol×K 838.44 Calculated Property
Cp,gas 1030.82 J/mol×K 919.22 Calculated Property
Cp,gas 1063.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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