Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tridecyl ester

Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tridecyl ester

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InChI
InChI=1S/C27H40Cl2O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-33-25(31)27(5-2,6-3)26(32)34-24-21(20-30)18-22(28)19-23(24)29/h18-20H,4-17H2,1-3H3
InChI Key
YBXPEPIFHUCPMQ-UHFFFAOYSA-N
Formula
C27H40Cl2O5
SMILES
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O
Molecular Weight1
515.51
Sources

Physical Properties

Property Value Unit Source
Δf -328.40 kJ/mol Joback Calculated Property
Δfgas -1013.90 kJ/mol Joback Calculated Property
Δfus 67.40 kJ/mol Joback Calculated Property
Δvap 112.46 kJ/mol Joback Calculated Property
logPoct/wat 8.37 Crippen Calculated Property
Pc 858.47 kPa Joback Calculated Property
Tboil 1131.65 K Joback Calculated Property
Tc 1394.61 K Joback Calculated Property
Tfus 706.61 K Joback Calculated Property
Vc 1.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1360.31 J/mol×K 1131.65 Joback Calculated Property
η 0.00 Pa×s 1131.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 14
-Cl 2
>C< 1
O=CH- (aldehyde) 1
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, decyl 2,4-dichloro-6-formylphenyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl dodecyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl undecyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tetradecyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl heptyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl hexyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl pentyl ester. Diethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl propyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl 2-methylhex-3-yl ester. Dimethylmalonic acid, decyl 2,4-dichloro-6-formylphenyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl heptyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl nonyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl ester.

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