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° 43.43 kJ/mol Joback Calculated Property
ΔvapH° 89.91 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 1550.00 kPa Joback Calculated Property
Inp 2265.00 NIST
Tboil 612.96 K Relay (1.0) Calculated Property
Tc 821.21 K Relay (1.0) Calculated Property
Tfus 274.48 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [368.99; 834.16] 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 A3.10230e+01
Coefficient B1.42288e+00
Coefficient C-6.99020e-04
Coefficient D7.92800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 368.99 J/mol×K 273.00 Calculated Property
Cp,gas 450.43 J/mol×K 353.78 Calculated Property
Cp,gas 523.85 J/mol×K 434.56 Calculated Property
Cp,gas 589.49 J/mol×K 515.33 Calculated Property
Cp,gas 647.62 J/mol×K 596.11 Calculated Property
Cp,gas 698.47 J/mol×K 676.89 Calculated Property
Cp,gas 742.30 J/mol×K 757.67 Calculated Property
Cp,gas 779.35 J/mol×K 838.44 Calculated Property
Cp,gas 809.89 J/mol×K 919.22 Calculated Property
Cp,gas 834.16 J/mol×K 1000.00 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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