Chemical Properties of Isophthalic acid, isohexyl 3-methylbut-2-en-1-yl ester

Isophthalic acid, isohexyl 3-methylbut-2-en-1-yl ester

InChI
InChI=1S/C19H26O4/c1-14(2)7-6-11-22-18(20)16-8-5-9-17(13-16)19(21)23-12-10-15(3)4/h5,8-10,13-14H,6-7,11-12H2,1-4H3
InChI Key
SDNDULSPKLCURE-UHFFFAOYSA-N
Formula
C19H26O4
SMILES
CC(C)=CCOC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
318.41
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Physical Properties

Property Value Unit Source
ω 0.8417 Relay (1.0) Calculated Property
ΔfusH° 42.72 kJ/mol Joback Calculated Property
log10WS -5.47 Relay (1.0) Calculated Property
logPoct/wat 4.403 Crippen Calculated Property
McVol 265.390 ml/mol McGowan Calculated Property
Pc 1422.92 kPa Joback Calculated Property
Inp 2399.00 NIST
Tboil 628.75 K Relay (1.0) Calculated Property
Tc 829.98 K Relay (1.0) Calculated Property
Tfus 289.18 K Relay (1.0) Calculated Property
Vc 0.961 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 [781.26; 861.05] J/mol×K [786.02; 990.28] Show Hide
Cp,gas 781.26 J/mol×K 786.02 Joback Calculated Property
Cp,gas 797.37 J/mol×K 820.06 Joback Calculated Property
Cp,gas 812.30 J/mol×K 854.11 Joback Calculated Property
Cp,gas 826.10 J/mol×K 888.15 Joback Calculated Property
Cp,gas 838.80 J/mol×K 922.20 Joback Calculated Property
Cp,gas 850.44 J/mol×K 956.24 Joback Calculated Property
Cp,gas 861.05 J/mol×K 990.28 Joback Calculated Property

Similar Compounds

Isophthalic acid, 3-methylbut-2-en-1-yl pentyl ester. Isophthalic acid, hexyl 3-methylbut-2-en-1-yl ester. Isophthalic acid, decyl 3-methylbut-2-en-1-yl ester. Isophthalic acid, heptyl 3-methylbut-2-en-1-yl ester. Isophthalic acid, 3-methylbut-2-en-1-yl octyl ester. Isophthalic acid, 3-methylbut-2-en-1-yl nonyl ester. Isophthalic acid, isohexyl 2-methylprop-2-en-1-yl ester. Isophthalic acid, butyl 3-methylbut-2-en-1-yl ester. Isophthalic acid, isohexyl pent-4-enyl ester. Isophthalic acid, isohexyl undec-2-en-1-yl ester. Terephthalic acid, but-2-enyl isohexyl ester. Isophthalic acid, isohexyl 3-methylbutyl ester. Isophthalic acid, isohexyl trans-hex-3-enyl ester. Isophthalic acid, isohexyl neopentyl ester. Isophthalic acid, 2-cyclohexylethyl isohexyl ester.

Find more compounds similar to Isophthalic acid, isohexyl 3-methylbut-2-en-1-yl ester.

Sources

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