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

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

InChI
InChI=1S/C19H24O4/c1-5-7-11-17(12-14(3)4)23-19(21)16-10-8-9-15(13-16)18(20)22-6-2/h8-10,13-14,17H,5-6,12H2,1-4H3
InChI Key
LVWSDCWTSSNRMU-UHFFFAOYSA-N
Formula
C19H24O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCC)c1
Molecular Weight1
316.40
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Physical Properties

Property Value Unit Source
ω 0.7384 Relay (1.0) Calculated Property
ΔfusH° 40.27 kJ/mol Joback Calculated Property
ΔvapH° 88.40 kJ/mol Relay (1.0) Calculated Property
IE 9.11 eV Relay (1.0) Calculated Property
log10WS -5.04 Relay (1.0) Calculated Property
logPoct/wat 3.848 Crippen Calculated Property
McVol 261.090 ml/mol McGowan Calculated Property
Pc 1655.15 kPa Joback Calculated Property
Inp 2265.00 NIST
Tboil 612.96 K Relay (1.0) Calculated Property
Tc 817.92 K Relay (1.0) Calculated Property
Tfus 279.80 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 [769.36; 845.22] J/mol×K [826.48; 1045.26] Show Hide
Cp,gas 769.36 J/mol×K 826.48 Joback Calculated Property
Cp,gas 784.99 J/mol×K 862.94 Joback Calculated Property
Cp,gas 799.39 J/mol×K 899.41 Joback Calculated Property
Cp,gas 812.60 J/mol×K 935.87 Joback Calculated Property
Cp,gas 824.63 J/mol×K 972.33 Joback Calculated Property
Cp,gas 835.50 J/mol×K 1008.80 Joback Calculated Property
Cp,gas 845.22 J/mol×K 1045.26 Joback Calculated Property

Similar Compounds

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

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

Sources

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