Chemical Properties of (2R,4S)-2,4-Dimethyladipic acid dimethyl ester (CAS 85547-49-5)

(2R,4S)-2,4-Dimethyladipic acid dimethyl ester

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InChI
InChI=1S/C10H18O4/c1-7(6-9(11)13-3)5-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3
InChI Key
MMDQWVHEMWGZQW-UHFFFAOYSA-N
Formula
C10H18O4
SMILES
COC(=O)CC(C)CC(C)C(=O)OC
Molecular Weight1
202.25
CAS
85547-49-5
Other Names
  • 2,4-Dimethyl-hexanedioic acid dimethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -439.40 kJ/mol Joback Calculated Property
Δfgas -749.89 kJ/mol Joback Calculated Property
Δfus 20.18 kJ/mol Joback Calculated Property
Δvap 55.39 kJ/mol Joback Calculated Property
logPoct/wat 1.38 Crippen Calculated Property
Pc 2333.78 kPa Joback Calculated Property
Tboil 579.90 K Joback Calculated Property
Tc 766.72 K Joback Calculated Property
Tfus 316.78 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 416.45 J/mol×K 579.9 Joback Calculated Property
η 0.00 Pa×s 579.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-CH2- 2
>C=O (nonring) 2
-CH3 4

Similar Compounds

Heptanedioic acid, 2,4-dimethyl-, dimethyl ester. Dimethyl 2-methyladipate. Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester. Hexanedioic acid, 3-methyl-, dimethyl ester. methyl 2,5-dimethylhexanoate. Methyl 2-methylhexanoate. 1,4-Cyclohexanedicarboxylic acid, dimethyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester. Dimethyl-2,5-diethyladipate. Methyl 2,6,10-trimethyltridecanoate. Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester. methyl 3,3-dimethylcyclohexanecarboxylate. Hexanoic acid, 2-ethyl-, methyl ester. butyl 2,4-dimethylheptanoate.

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