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

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

InChI
InChI=1S/C18H24O4/c1-13(2)7-6-10-21-17(19)15-8-5-9-16(11-15)18(20)22-12-14(3)4/h5,8-9,11,13H,3,6-7,10,12H2,1-2,4H3
InChI Key
ZTJXRPJDSMTFSF-UHFFFAOYSA-N
Formula
C18H24O4
SMILES
C=C(C)COC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
304.38
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Physical Properties

Property Value Unit Source
ω 0.8421 Relay (1.0) Calculated Property
ΔfusH° 38.65 kJ/mol Joback Calculated Property
log10WS -5.04 Relay (1.0) Calculated Property
logPoct/wat 4.012 Crippen Calculated Property
McVol 251.300 ml/mol McGowan Calculated Property
Pc 1519.94 kPa Joback Calculated Property
Inp [2239.00; 2239.00]   Show Hide
Inp 2239.00 NIST
Inp 2239.00 NIST
Tboil 632.93 K Relay (1.0) Calculated Property
Tc 821.62 K Relay (1.0) Calculated Property
Tfus 282.69 K Relay (1.0) Calculated Property
Vc 0.913 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [723.71; 802.77] J/mol×K [755.66; 958.09] Show Hide
Cp,gas 723.71 J/mol×K 755.66 Joback Calculated Property
Cp,gas 739.67 J/mol×K 789.40 Joback Calculated Property
Cp,gas 754.48 J/mol×K 823.14 Joback Calculated Property
Cp,gas 768.17 J/mol×K 856.87 Joback Calculated Property
Cp,gas 780.76 J/mol×K 890.61 Joback Calculated Property
Cp,gas 792.29 J/mol×K 924.35 Joback Calculated Property
Cp,gas 802.77 J/mol×K 958.09 Joback Calculated Property

Similar Compounds

Isophthalic acid, hexyl 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, hexadecyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, dodecyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, 2-methylprop-2-en-1-yl nonyl ester. Isophthalic acid, 2-methylprop-2-en-1-yl octyl ester. Isophthalic acid, decyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, 2-methylprop-2-en-1-yl undecyl ester. Isophthalic acid, isohexyl 3-methylbut-2-en-1-yl ester. Isophthalic acid, butyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, isohexyl neopentyl ester. Isophthalic acid, isohexyl 3-methylbutyl ester. Isophthalic acid, isohexyl 2-methylbutyl ester. Isophthalic acid, 2-chloropropyl isohexyl ester.

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

Sources

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