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

Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester

InChI
InChI=1S/C28H34O4/c1-19(2)12-14-25(16-21(5)6)31-27(29)23-10-9-11-24(18-23)28(30)32-26(17-22(7)8)15-13-20(3)4/h9-11,18,21-22,25-26H,1,3,16-17H2,2,4-8H3
InChI Key
BNNGIDHFWUWUOI-UHFFFAOYSA-N
Formula
C28H34O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OC(C#CC(=C)C)CC(C)C)c1
Molecular Weight1
434.58
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Physical Properties

Property Value Unit Source
ΔfusH° 57.64 kJ/mol Joback Calculated Property
logPoct/wat 5.989 Crippen Calculated Property
McVol 370.700 ml/mol McGowan Calculated Property
Tboil 660.61 K Relay (1.0) Calculated Property
Tfus 336.71 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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 [1179.95; 1247.17] J/mol×K [997.70; 1231.83] Show Hide
Cp,gas 1179.95 J/mol×K 997.70 Joback Calculated Property
Cp,gas 1194.89 J/mol×K 1036.72 Joback Calculated Property
Cp,gas 1208.24 J/mol×K 1075.74 Joback Calculated Property
Cp,gas 1220.07 J/mol×K 1114.76 Joback Calculated Property
Cp,gas 1230.46 J/mol×K 1153.79 Joback Calculated Property
Cp,gas 1239.47 J/mol×K 1192.81 Joback Calculated Property
Cp,gas 1247.17 J/mol×K 1231.83 Joback Calculated Property

Similar Compounds

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, 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 pentyl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester. 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-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 heptyl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

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

Sources

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