Chemical Properties of Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester

Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C24H34O4/c1-5-7-9-10-11-16-27-23(25)20-13-12-14-21(18-20)24(26)28-22(15-8-6-2)17-19(3)4/h12-14,18-19,22H,5-7,9-11,16-17H2,1-4H3
InChI Key
JOFLMLHHBKQDIB-UHFFFAOYSA-N
Formula
C24H34O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCCCCC)c1
Molecular Weight1
386.52
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Physical Properties

Property Value Unit Source
ω 0.9475 Relay (1.0) Calculated Property
ΔfusH° 56.38 kJ/mol Joback Calculated Property
log10WS -6.61 Relay (1.0) Calculated Property
logPoct/wat 5.799 Crippen Calculated Property
McVol 331.540 ml/mol McGowan Calculated Property
Pc 1096.44 kPa Joback Calculated Property
Inp [2758.00; 2758.00]   Show Hide
Inp 2758.00 NIST
Inp 2758.00 NIST
Tboil 650.28 K Relay (1.0) Calculated Property
Tc 866.49 K Relay (1.0) Calculated Property
Tfus 275.49 K Relay (1.0) Calculated Property
Vc 1.196 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 [475.05; 1092.12] 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 A2.64780e+01
Coefficient B1.89788e+00
Coefficient C-9.71020e-04
Coefficient D1.38780e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 475.05 J/mol×K 273.00 Calculated Property
Cp,gas 582.52 J/mol×K 353.78 Calculated Property
Cp,gas 679.23 J/mol×K 434.56 Calculated Property
Cp,gas 765.64 J/mol×K 515.33 Calculated Property
Cp,gas 842.17 J/mol×K 596.11 Calculated Property
Cp,gas 909.27 J/mol×K 676.89 Calculated Property
Cp,gas 967.38 J/mol×K 757.67 Calculated Property
Cp,gas 1016.93 J/mol×K 838.44 Calculated Property
Cp,gas 1058.36 J/mol×K 919.22 Calculated Property
Cp,gas 1092.12 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester.

Sources

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