Chemical Properties of Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester

Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester

InChI
InChI=1S/C14H16O4/c1-4-17-13(15)11-6-5-7-12(8-11)14(16)18-9-10(2)3/h5-8H,2,4,9H2,1,3H3
InChI Key
FXAHNIAERYRWNQ-UHFFFAOYSA-N
Formula
C14H16O4
SMILES
C=C(C)COC(=O)c1cccc(C(=O)OCC)c1
Molecular Weight1
248.28
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Physical Properties

Property Value Unit Source
ω 0.7135 Relay (1.0) Calculated Property
ΔfH°gas -621.34 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.82 kJ/mol Joback Calculated Property
ΔvapH° 77.33 kJ/mol Relay (1.0) Calculated Property
IE 9.23 eV Relay (1.0) Calculated Property
log10WS -3.98 Relay (1.0) Calculated Property
logPoct/wat 2.596 Crippen Calculated Property
McVol 194.940 ml/mol McGowan Calculated Property
Pc 2086.93 kPa Joback Calculated Property
Inp [1878.00; 1878.00]   Show Hide
Inp 1878.00 NIST
Inp 1878.00 NIST
Tboil 598.62 K Relay (1.0) Calculated Property
Tc 780.74 K Relay (1.0) Calculated Property
Tfus 285.28 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [270.79; 607.47] 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 A1.86920e+01
Coefficient B1.06574e+00
Coefficient C-5.37960e-04
Coefficient D6.10000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 270.79 J/mol×K 273.00 Calculated Property
Cp,gas 331.10 J/mol×K 353.78 Calculated Property
Cp,gas 385.23 J/mol×K 434.56 Calculated Property
Cp,gas 433.39 J/mol×K 515.33 Calculated Property
Cp,gas 475.75 J/mol×K 596.11 Calculated Property
Cp,gas 512.52 J/mol×K 676.89 Calculated Property
Cp,gas 543.88 J/mol×K 757.67 Calculated Property
Cp,gas 570.03 J/mol×K 838.44 Calculated Property
Cp,gas 591.16 J/mol×K 919.22 Calculated Property
Cp,gas 607.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, di(2-methylprop-2-en-1-yl) ester. Isophthalic acid, 2-methylprop-2-en-1-yl propyl ester. Isophthalic acid, isobutyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, butyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, hexyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, ethyl neopentyl ester. Isophthalic acid, 2-methylprop-2-en-1-yl octyl ester. Isophthalic acid, decyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, heptyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, 2-methylprop-2-en-1-yl pentadecyl ester. Isophthalic acid, dodecyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, hexadecyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, 2-methylprop-2-en-1-yl undecyl ester. Isophthalic acid, 2-methylprop-2-en-1-yl nonyl ester. Dipropyl isophthalate.

Find more compounds similar to Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester.

Sources

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