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

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

InChI
InChI=1S/C22H28O4/c1-15(2)10-11-20(12-16(3)4)26-22(24)19-9-7-8-18(13-19)21(23)25-14-17(5)6/h7-9,13,16-17,20H,1,12,14H2,2-6H3
InChI Key
ASFNMFRQQWDLKI-UHFFFAOYSA-N
Formula
C22H28O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCC(C)C)c1
Molecular Weight1
356.46
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Physical Properties

Property Value Unit Source
ΔfusH° 41.92 kJ/mol Joback Calculated Property
log10WS -5.69 Relay (1.0) Calculated Property
logPoct/wat 4.650 Crippen Calculated Property
McVol 299.060 ml/mol McGowan Calculated Property
Inp [2460.00; 2460.00]   Show Hide
Inp 2460.00 NIST
Inp 2460.00 NIST
Tboil 633.97 K Relay (1.0) Calculated Property
Tfus 305.02 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 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 [916.87; 992.33] J/mol×K [891.24; 1113.11] Show Hide
Cp,gas 916.87 J/mol×K 891.24 Joback Calculated Property
Cp,gas 932.64 J/mol×K 928.22 Joback Calculated Property
Cp,gas 947.09 J/mol×K 965.20 Joback Calculated Property
Cp,gas 960.25 J/mol×K 1002.17 Joback Calculated Property
Cp,gas 972.15 J/mol×K 1039.15 Joback Calculated Property
Cp,gas 982.83 J/mol×K 1076.13 Joback Calculated Property
Cp,gas 992.33 J/mol×K 1113.11 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl 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 ethyl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) 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 hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl 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-methyloct-5-yn-4-yl propyl ester. 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-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, 2,6-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 isobutyl ester.

Sources

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