Chemical Properties of Isophthalic acid, 3,7-dimethyloct-6-enyl propyl ester

Isophthalic acid, 3,7-dimethyloct-6-enyl propyl ester

InChI
InChI=1S/C21H30O4/c1-5-13-24-20(22)18-10-7-11-19(15-18)21(23)25-14-12-17(4)9-6-8-16(2)3/h7-8,10-11,15,17H,5-6,9,12-14H2,1-4H3
InChI Key
WBWMGSFDLSWXCI-UHFFFAOYSA-N
Formula
C21H30O4
SMILES
CCCOC(=O)c1cccc(C(=O)OCCC(C)CCC=C(C)C)c1
Molecular Weight1
346.46
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Physical Properties

Property Value Unit Source
ΔfusH° 44.74 kJ/mol Joback Calculated Property
log10WS -5.85 Relay (1.0) Calculated Property
logPoct/wat 5.183 Crippen Calculated Property
McVol 293.570 ml/mol McGowan Calculated Property
Pc 1311.80 kPa Joback Calculated Property
Inp 2492.00 NIST
Tboil 648.60 K Relay (1.0) Calculated Property
Tfus 267.94 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [910.41; 990.70] J/mol×K [867.72; 1075.69] Show Hide
Cp,gas 910.41 J/mol×K 867.72 Joback Calculated Property
Cp,gas 926.54 J/mol×K 902.38 Joback Calculated Property
Cp,gas 941.51 J/mol×K 937.04 Joback Calculated Property
Cp,gas 955.37 J/mol×K 971.70 Joback Calculated Property
Cp,gas 968.17 J/mol×K 1006.36 Joback Calculated Property
Cp,gas 979.93 J/mol×K 1041.03 Joback Calculated Property
Cp,gas 990.70 J/mol×K 1075.69 Joback Calculated Property

Similar Compounds

Isophthalic acid, 3,7-dimethyloct-6-enyl hexyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl pentyl ester. Isophthalic acid, butyl 3,7-dimethyloct-6-enyl ester. Isophthalic acid, di(3,7-dimethyloct-6-enyl) ester. Isophthalic acid, 3,7-dimethyloct-6-enyl heptyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl octyl ester. Isophthalic acid, decyl 3,7-dimethyloct-6-enyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl dodecyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl undecyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl tridecyl ester. Citronellyl benzoate. Bis(3,7-dimethyloct-6-enyl) phthalate. 3,7-Dimethyloct-6-enyl 3-chlorobenzoate. Isophthalic acid, cis-tetradec-3-enyl isohexyl ester. Citronellyl anthranilate.

Find more compounds similar to Isophthalic acid, 3,7-dimethyloct-6-enyl propyl ester.

Sources

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