Chemical Properties of Diglycolic acid, 4-chlorophenyl isohexyl ester

Diglycolic acid, 4-chlorophenyl isohexyl ester

InChI
InChI=1S/C16H21ClO5/c1-12(2)4-3-9-21-15(18)10-20-11-16(19)22-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3
InChI Key
UQXLZYZFNQECJY-UHFFFAOYSA-N
Formula
C16H21ClO5
SMILES
CC(C)CCCOC(=O)COCC(=O)Oc1ccc(Cl)cc1
Molecular Weight1
328.79
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Physical Properties

Property Value Unit Source
Δfus 41.45 kJ/mol Joback Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
logPoct/wat 3.241 Crippen Calculated Property
McVol 245.530 ml/mol McGowan Calculated Property
Inp [2825.00; 2825.00]   Show Hide
Inp 2825.00 NIST
Inp 2825.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [693.27; 761.46] J/mol×K [773.19; 976.64] Show Hide
Cp,gas 693.27 J/mol×K 773.19 Joback Calculated Property
Cp,gas 707.43 J/mol×K 807.10 Joback Calculated Property
Cp,gas 720.46 J/mol×K 841.01 Joback Calculated Property
Cp,gas 732.37 J/mol×K 874.91 Joback Calculated Property
Cp,gas 743.18 J/mol×K 908.82 Joback Calculated Property
Cp,gas 752.87 J/mol×K 942.73 Joback Calculated Property
Cp,gas 761.46 J/mol×K 976.64 Joback Calculated Property
η [0.0000452; 0.0008987] Pa×s [430.83; 773.19] Show Hide
η 0.0008987 Pa×s 430.83 Joback Calculated Property
η 0.0004079 Pa×s 487.89 Joback Calculated Property
η 0.0002185 Pa×s 544.95 Joback Calculated Property
η 0.0001317 Pa×s 602.01 Joback Calculated Property
η 0.0000867 Pa×s 659.07 Joback Calculated Property
η 0.0000610 Pa×s 716.13 Joback Calculated Property
η 0.0000452 Pa×s 773.19 Joback Calculated Property

Similar Compounds

Diglycolic acid, 3-chlorophenyl isohexyl ester. Diglycolic acid, 2,4-dichlorophenyl isohexyl ester. Diglycolic acid, 4-chlorophenyl pentyl ester. Diglycolic acid, 4-chlorophenyl hexyl ester. Diglycolic acid, 4-chlorophenyl octyl ester. Diglycolic acid, 4-chlorophenyl nonyl ester. Diglycolic acid, 4-chlorophenyl heptyl ester. Diglycolic acid, 2-chlorophenyl isohexyl ester. Diglycolic acid, isohexyl 2-naphthyl ester. Diglycolic acid, butyl 4-chlorophenyl ester. Diglycolic acid, 2,6-dichlorophenyl isohexyl ester. Diglycolic acid, 4-bromophenyl isohexyl ester. Diglycolic acid, 2,3-dichlorophenyl isohexyl ester. Diglycolic acid, 2,4-dichlorophenyl pentyl ester. Diglycolic acid, 3-chlorophenyl hexyl ester.

Find more compounds similar to Diglycolic acid, 4-chlorophenyl isohexyl ester.

Sources

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