Chemical Properties of Diglycolic acid, isobutyl 2,4,6-trichlorophenyl ester

Diglycolic acid, isobutyl 2,4,6-trichlorophenyl ester

InChI
InChI=1S/C14H15Cl3O5/c1-8(2)5-21-12(18)6-20-7-13(19)22-14-10(16)3-9(15)4-11(14)17/h3-4,8H,5-7H2,1-2H3
InChI Key
NVYHZCGKBVPWNX-UHFFFAOYSA-N
Formula
C14H15Cl3O5
SMILES
CC(C)COC(=O)COCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
Molecular Weight1
369.62
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Physical Properties

Property Value Unit Source
ΔfusH° 43.88 kJ/mol Joback Calculated Property
ΔvapH° 95.05 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.768 Crippen Calculated Property
McVol 241.830 ml/mol McGowan Calculated Property
Inp [2812.00; 2812.00]   Show Hide
Inp 2812.00 NIST
Inp 2812.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [629.26; 678.06] J/mol×K [812.25; 1027.90] Show Hide
Cp,gas 629.26 J/mol×K 812.25 Joback Calculated Property
Cp,gas 640.17 J/mol×K 848.19 Joback Calculated Property
Cp,gas 649.98 J/mol×K 884.13 Joback Calculated Property
Cp,gas 658.69 J/mol×K 920.07 Joback Calculated Property
Cp,gas 666.27 J/mol×K 956.02 Joback Calculated Property
Cp,gas 672.73 J/mol×K 991.96 Joback Calculated Property
Cp,gas 678.06 J/mol×K 1027.90 Joback Calculated Property
η [0.0000451; 0.0004769] Pa×s [493.17; 812.25] Show Hide
η 0.0004769 Pa×s 493.17 Joback Calculated Property
η 0.0002658 Pa×s 546.35 Joback Calculated Property
η 0.0001643 Pa×s 599.53 Joback Calculated Property
η 0.0001099 Pa×s 652.71 Joback Calculated Property
η 0.0000781 Pa×s 705.89 Joback Calculated Property
η 0.0000582 Pa×s 759.07 Joback Calculated Property
η 0.0000451 Pa×s 812.25 Joback Calculated Property

Similar Compounds

Diglycolic acid, 2,6-dichlorophenyl isobutyl ester. Diglycolic acid, 2,4-dichlorophenyl isobutyl ester. Diglycolic acid, propyl 2,4,6-trichlorophenyl ester. Diglycolic acid, 2-chlorophenyl isobutyl ester. Diglycolic acid, 2,3-dichlorophenyl isobutyl ester. Diglycolic acid, butyl 2,4,6-trichlorophenyl ester. Diglycolic acid, 4-chlorophenyl isobutyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl isobutyl ester. Diglycolic acid, 2,6-dichlorophenyl propyl ester. Diglycolic acid, pentyl 2,4,6-trichlorophenyl ester. Diglycolic acid, 2,4-dichlorophenyl propyl ester. Diglycolic acid, hexyl 2,4,6-trichlorophenyl ester. Diglycolic acid, butyl 2,6-dichlorophenyl ester. Diglycolic acid, ethyl 2,4,6-trichlorophenyl ester. Diglycolic acid, butyl 2,4-dichlorophenyl ester.

Find more compounds similar to Diglycolic acid, isobutyl 2,4,6-trichlorophenyl ester.

Sources

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