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

Isophthalic acid, isohexyl oct-3-en-2-yl ester

InChI
InChI=1S/C22H32O4/c1-5-6-7-8-12-18(4)26-22(24)20-14-9-13-19(16-20)21(23)25-15-10-11-17(2)3/h8-9,12-14,16-18H,5-7,10-11,15H2,1-4H3/b12-8+
InChI Key
KATFQFHIPFJSFA-XYOKQWHBSA-N
Formula
C22H32O4
SMILES
CCCCC=CC(C)OC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
360.49
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Physical Properties

Property Value Unit Source
ω 0.9146 Relay (1.0) Calculated Property
ΔfusH° 45.12 kJ/mol Joback Calculated Property
log10WS -5.88 Relay (1.0) Calculated Property
logPoct/wat 5.571 Crippen Calculated Property
McVol 307.660 ml/mol McGowan Calculated Property
Pc 1227.70 kPa Joback Calculated Property
Inp [2586.00; 2586.00]   Show Hide
Inp 2586.00 NIST
Inp 2586.00 NIST
Tboil 634.25 K Relay (1.0) Calculated Property
Tc 836.56 K Relay (1.0) Calculated Property
Tfus 271.73 K Relay (1.0) Calculated Property
Vc 1.113 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 [971.00; 1051.54] J/mol×K [890.28; 1099.25] Show Hide
Cp,gas 971.00 J/mol×K 890.28 Joback Calculated Property
Cp,gas 987.29 J/mol×K 925.11 Joback Calculated Property
Cp,gas 1002.38 J/mol×K 959.94 Joback Calculated Property
Cp,gas 1016.30 J/mol×K 994.76 Joback Calculated Property
Cp,gas 1029.11 J/mol×K 1029.59 Joback Calculated Property
Cp,gas 1040.84 J/mol×K 1064.42 Joback Calculated Property
Cp,gas 1051.54 J/mol×K 1099.25 Joback Calculated Property
η [0.0000301; 0.0005744] Pa×s [485.88; 890.28] Show Hide
η 0.0005744 Pa×s 485.88 Joback Calculated Property
η 0.0002606 Pa×s 553.28 Joback Calculated Property
η 0.0001404 Pa×s 620.68 Joback Calculated Property
η 0.0000853 Pa×s 688.08 Joback Calculated Property
η 0.0000567 Pa×s 755.48 Joback Calculated Property
η 0.0000403 Pa×s 822.88 Joback Calculated Property
η 0.0000301 Pa×s 890.28 Joback Calculated Property

Similar Compounds

Isophthalic acid, oct-3-en-2-yl pentyl ester. Isophthalic acid, hexyl oct-3-en-2-yl ester. Isophthalic acid, butyl oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl propyl ester. Isophthalic acid, isobutyl oct-3-en-2-yl ester. Isophthalic acid, isohexyl undec-2-en-1-yl ester. Isophthalic acid, di(oct-3-en-2-yl) ester. Isophthalic acid, hexyl undec-2-en-1-yl ester. Terephthalic acid, dodec-2-enyl isohexyl ester. Isophthalic acid, heptyl undec-2-en-1-yl ester. Isophthalic acid, octyl undec-2-en-1-yl ester. Isophthalic acid, pentyl undec-2-en-1-yl ester. m-Toluic acid, oct-3-en-2-yl ester. Isophthalic acid, cis-tetradec-3-enyl isohexyl ester. 3-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester.

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

Sources

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