Chemical Properties of Isophthalic acid, isobutyl 2,3,5-trichlorophenyl ester

Isophthalic acid, isobutyl 2,3,5-trichlorophenyl ester

InChI
InChI=1S/C18H15Cl3O4/c1-10(2)9-24-17(22)11-4-3-5-12(6-11)18(23)25-15-8-13(19)7-14(20)16(15)21/h3-8,10H,9H2,1-2H3
InChI Key
JPHAYAMXWGYBEV-UHFFFAOYSA-N
Formula
C18H15Cl3O4
SMILES
CC(C)COC(=O)c1cccc(C(=O)Oc2cc(Cl)cc(Cl)c2Cl)c1
Molecular Weight1
401.67
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Physical Properties

Property Value Unit Source
ΔfusH° 43.54 kJ/mol Joback Calculated Property
log10WS -6.86 Relay (1.0) Calculated Property
logPoct/wat 5.679 Crippen Calculated Property
McVol 268.560 ml/mol McGowan Calculated Property
Inp 2807.00 NIST
Tboil 667.34 K Relay (1.0) Calculated Property
Tfus 345.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [727.27; 765.69] J/mol×K [948.95; 1191.57] Show Hide
Cp,gas 727.27 J/mol×K 948.95 Joback Calculated Property
Cp,gas 736.84 J/mol×K 989.39 Joback Calculated Property
Cp,gas 745.12 J/mol×K 1029.82 Joback Calculated Property
Cp,gas 752.13 J/mol×K 1070.26 Joback Calculated Property
Cp,gas 757.88 J/mol×K 1110.70 Joback Calculated Property
Cp,gas 762.39 J/mol×K 1151.13 Joback Calculated Property
Cp,gas 765.69 J/mol×K 1191.57 Joback Calculated Property
η [0.0000461; 0.0002812] Pa×s [614.62; 948.95] Show Hide
η 0.0002812 Pa×s 614.62 Joback Calculated Property
η 0.0001835 Pa×s 670.34 Joback Calculated Property
η 0.0001279 Pa×s 726.06 Joback Calculated Property
η 0.0000938 Pa×s 781.79 Joback Calculated Property
η 0.0000717 Pa×s 837.51 Joback Calculated Property
η 0.0000567 Pa×s 893.23 Joback Calculated Property
η 0.0000461 Pa×s 948.95 Joback Calculated Property

Similar Compounds

Isophthalic acid, propyl 2,3,5-trichlorophenyl ester. Isophthalic acid, 2,5-dichlorophenyl isobutyl ester. Isophthalic acid, butyl 2,3,5-trichlorophenyl ester. Phthalic acid, isobutyl 2,3,5-trichlorophenyl ester. Isophthalic acid, 2,4-dichlorophenyl isobutyl ester. Isophthalic acid, 3,5-dichlorophenyl isobutyl ester. Isophthalic acid, 2,3-dichlorophenyl propyl ester. Isophthalic acid, 2,6-dichlorophenyl isobutyl ester. Isophthalic acid, pentyl 2,3,5-trichlorophenyl ester. Isophthalic acid, 2,5-dichlorophenyl propyl ester. Isophthalic acid, butyl 2,3-dichlorophenyl ester. Isophthalic acid, 3-chlorophenyl isobutyl ester. Isophthalic acid, hexyl 2,3,5-trichlorophenyl ester. Isophthalic acid, isobutyl 2,4,6-trichlorophenyl ester. Isophthalic acid, butyl 2,5-dichlorophenyl ester.

Find more compounds similar to Isophthalic acid, isobutyl 2,3,5-trichlorophenyl ester.

Sources

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