Chemical Properties of Diethylmalonic acid, 2-isopropylphenyl nonyl ester

Diethylmalonic acid, 2-isopropylphenyl nonyl ester

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InChI
InChI=1S/C25H40O4/c1-6-9-10-11-12-13-16-19-28-23(26)25(7-2,8-3)24(27)29-22-18-15-14-17-21(22)20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChI Key
AARWAQACZPPVQP-UHFFFAOYSA-N
Formula
C25H40O4
SMILES
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C
Molecular Weight1
404.58
Sources

Physical Properties

Property Value Unit Source
Δf -205.04 kJ/mol Joback Calculated Property
Δfgas -837.90 kJ/mol Joback Calculated Property
Δfus 48.79 kJ/mol Joback Calculated Property
Δvap 90.81 kJ/mol Joback Calculated Property
logPoct/wat 6.82 Crippen Calculated Property
Pc 987.02 kPa Joback Calculated Property
Tboil 951.97 K Joback Calculated Property
Tc 1166.67 K Joback Calculated Property
Tfus 542.19 K Joback Calculated Property
Vc 1.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1181.74 J/mol×K 951.97 Joback Calculated Property
η 0.00 Pa×s 951.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 5
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
>C< 1
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, dodecyl 2-isopropylphenyl ester. Diethylmalonic acid, heptadecyl 2-isopropylphenyl ester. Diethylmalonic acid, decyl 2-isopropylphenyl ester. Diethylmalonic acid, 2-isopropylphenyl octadecyl ester. Diethylmalonic acid, 2-isopropylphenyl pentadecyl ester. Diethylmalonic acid, 2-isopropylphenyl tridecyl ester. Diethylmalonic acid, heptyl 2-isopropylphenyl ester. Diethylmalonic acid, 2-isopropylphenyl tetradecyl ester. Diethylmalonic acid, 2-isopropylphenyl octyl ester. Diethylmalonic acid, hexadecyl 2-isopropylphenyl ester. Diethylmalonic acid, 2-isopropylphenyl undecyl ester. Diethylmalonic acid, hexyl 2-isopropylphenyl ester. Diethylmalonic acid, 2-isopropylphenyl pentyl ester. Diethylmalonic acid, butyl 2-isopropylphenyl ester. Diethylmalonic acid, 2-isopropylphenyl propyl ester.

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