Chemical Properties of 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)- (CAS 39622-57-6)

4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-

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InChI
InChI=1S/C11H12O5/c1-14-10(12)8-4-3-6-16-7-5-9(8)11(13)15-2/h3,5-7H,4H2,1-2H3/b6-3-,7-5+,9-8-
InChI Key
BEXZKZFLMYHWDZ-FKOIWDERSA-N
Formula
C11H12O5
SMILES
COC(=O)C1=C(C(=O)OC)CC=COC=C1
Molecular Weight1
224.21
CAS
39622-57-6
Sources

Physical Properties

Property Value Unit Source
Δf -433.64 kJ/mol Joback Calculated Property
Δfgas -679.23 kJ/mol Joback Calculated Property
Δfus 27.25 kJ/mol Joback Calculated Property
Δvap 66.18 kJ/mol Joback Calculated Property
logPoct/wat 1.077 Crippen Calculated Property
Pc 3002.44 kPa Joback Calculated Property
Tboil 670.81 K Joback Calculated Property
Tc 897.56 K Joback Calculated Property
Tfus 416.52 K Joback Calculated Property
Vc 0.597 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 418.97 J/mol×K 670.81 Joback Calculated Property
η 0.0000842 Pa×s 670.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate. Methylaconitic acid, trimethyl ester. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Succinic acid, dimethyl ester, 2-isopropylidene-3-(dimethoxymethylene). Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, tributyl ester. 1,2,3-Propenetricarboxylic acid, triethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. Dimethylbicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate.

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