Chemical Properties of Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester (CAS 95769-42-9)

Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester

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InChI
InChI=1S/C12H18O5/c1-5-16-11(14)9(7-13)10(8(3)4)12(15)17-6-2/h7,13H,5-6H2,1-4H3/b9-7-
InChI Key
WCJJJAREEUKXEH-CLFYSBASSA-N
Formula
C12H18O5
SMILES
CCOC(=O)C(=CO)C(=C(C)C)C(=O)OCC
Molecular Weight1
242.27
CAS
95769-42-9
Sources

Physical Properties

Property Value Unit Source
Δf -419.71 kJ/mol Joback Calculated Property
Δfgas -727.77 kJ/mol Joback Calculated Property
Δfus 32.97 kJ/mol Joback Calculated Property
Δvap 77.45 kJ/mol Joback Calculated Property
logPoct/wat 1.89 Crippen Calculated Property
Pc 2340.56 kPa Joback Calculated Property
Tboil 726.68 K Joback Calculated Property
Tc 917.20 K Joback Calculated Property
Tfus 378.10 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 528.14 J/mol×K 726.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 3
>C=O (nonring) 2
-OH (alcohol) 1
-CH2- 2
=CH- 1
-CH3 4

Similar Compounds

Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Succinic acid, dimethyl ester, 2-isopropylidene-3-(dimethoxymethylene). 2-Dimethylamino-methylene-3-isopropylidene succinic acid, diethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, triethyl ester. 1,2,3-Propenetricarboxylic acid, tributyl ester. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. 2-Dimethylamino-methylene-3-isopropylidene succinic acid, dimethyl ester. Methylaconitic acid, trimethyl ester. Dimethyl isopropylidene succinate. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-. Sencyunolide.

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