Chemical Properties of Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl ester (CAS 43064-52-4)

Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl ester

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InChI
InChI=1S/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3
InChI Key
OQIDMHZJNDYZLB-UHFFFAOYSA-N
Formula
C9H16O5
SMILES
COC(=O)CC(O)(C(=O)OC)C(C)C
Molecular Weight1
204.22
CAS
43064-52-4
Other Names
  • 2-Hydroxy-2-isopropyl-succinic acid dimethyl ester
  • dimethyl 2-hydroxy-2-(isopropyl)succinate
Sources

Physical Properties

Property Value Unit Source
Δf -579.36 kJ/mol Joback Calculated Property
Δfgas -884.95 kJ/mol Joback Calculated Property
Δfus 17.79 kJ/mol Joback Calculated Property
Δvap 68.94 kJ/mol Joback Calculated Property
logPoct/wat 0.11 Crippen Calculated Property
Pc 2856.62 kPa Joback Calculated Property
Tboil 646.41 K Joback Calculated Property
Tc 832.31 K Joback Calculated Property
Tfus 383.75 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 425.23 J/mol×K 646.41 Joback Calculated Property
η 0.00 Pa×s 646.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 4
-OH (alcohol) 1
-CH2- 1
>C< 1
>C=O (nonring) 2

Similar Compounds

Butanedioic acid, 2-ethyl-2-hydroxy, dimethyl ester. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester. 2-Hydroxypropane-1,2,3-tricarboxylic acid, dimethyl ester. Butanedioic acid, 2-butyl-2-hydroxy, dimethyl ester. 1,2,4-Butanetricarboxylic acid, 2-hydroxy, trimethyl ester. Ethyl citrate. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripropyl ester. TRIPENTYL CITRATE. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester. Dimethyl 2-hydroxy-2-methylbutane-1,4-dioate. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester. Citric acid, triallyl ester. Methyldicyclopropylglycolate. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, dihydrate. Calcium sodium citrate.

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