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

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

InChI
InChI=1S/C25H34O4/c1-6-7-8-9-10-16-28-24(26)21-12-11-13-22(18-21)25(27)29-23(17-20(4)5)15-14-19(2)3/h11-13,18,20,23H,2,6-10,16-17H2,1,3-5H3
InChI Key
MNDXCRVBAXCLDX-UHFFFAOYSA-N
Formula
C25H34O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCCCCC)c1
Molecular Weight1
398.54
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Physical Properties

Property Value Unit Source
ω 0.9572 Relay (1.0) Calculated Property
ΔfusH° 56.38 kJ/mol Joback Calculated Property
log10WS -6.66 Relay (1.0) Calculated Property
logPoct/wat 5.965 Crippen Calculated Property
McVol 341.330 ml/mol McGowan Calculated Property
Pc 1061.71 kPa Joback Calculated Property
Inp [2799.00; 2799.00]   Show Hide
Inp 2799.00 NIST
Inp 2799.00 NIST
Tboil 658.43 K Relay (1.0) Calculated Property
Tc 869.05 K Relay (1.0) Calculated Property
Tfus 288.61 K Relay (1.0) Calculated Property
Vc 1.227 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 [486.61; 1114.93] 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 A2.28870e+01
Coefficient B1.97278e+00
Coefficient C-1.05062e-03
Coefficient D1.69880e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 486.61 J/mol×K 273.00 Calculated Property
Cp,gas 596.84 J/mol×K 353.78 Calculated Property
Cp,gas 695.71 J/mol×K 434.56 Calculated Property
Cp,gas 783.76 J/mol×K 515.33 Calculated Property
Cp,gas 861.53 J/mol×K 596.11 Calculated Property
Cp,gas 929.55 J/mol×K 676.89 Calculated Property
Cp,gas 988.37 J/mol×K 757.67 Calculated Property
Cp,gas 1038.51 J/mol×K 838.44 Calculated Property
Cp,gas 1080.52 J/mol×K 919.22 Calculated Property
Cp,gas 1114.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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