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

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

InChI
InChI=1S/C20H24O4/c1-6-23-19(21)16-8-7-9-17(13-16)20(22)24-18(12-15(4)5)11-10-14(2)3/h7-9,13,15,18H,2,6,12H2,1,3-5H3
InChI Key
DEPXDXHSFRILSA-UHFFFAOYSA-N
Formula
C20H24O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCC)c1
Molecular Weight1
328.40
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Physical Properties

Property Value Unit Source
ω 0.7459 Relay (1.0) Calculated Property
ΔfusH° 43.43 kJ/mol Joback Calculated Property
ΔvapH° 91.72 kJ/mol Relay (1.0) Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -5.14 Relay (1.0) Calculated Property
logPoct/wat 4.014 Crippen Calculated Property
McVol 270.880 ml/mol McGowan Calculated Property
Pc 1491.89 kPa Joback Calculated Property
Inp 2315.00 NIST
Tboil 619.89 K Relay (1.0) Calculated Property
Tc 825.30 K Relay (1.0) Calculated Property
Tfus 296.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 [788.43; 864.33] J/mol×K [809.98; 1028.42] Show Hide
Cp,gas 788.43 J/mol×K 809.98 Joback Calculated Property
Cp,gas 804.28 J/mol×K 846.39 Joback Calculated Property
Cp,gas 818.80 J/mol×K 882.79 Joback Calculated Property
Cp,gas 832.04 J/mol×K 919.20 Joback Calculated Property
Cp,gas 844.02 J/mol×K 955.60 Joback Calculated Property
Cp,gas 854.77 J/mol×K 992.01 Joback Calculated Property
Cp,gas 864.33 J/mol×K 1028.42 Joback Calculated Property

Similar Compounds

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

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

Sources

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