Chemical Properties of cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride (CAS 35438-82-5)

cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride

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InChI
InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3/t5-,6-,7+/m1/s1
InChI Key
XPEKVUUBSDFMDR-QYNIQEEDSA-N
Formula
C9H10O3
SMILES
CC1C=CCC2C(=O)OC(=O)C21
Molecular Weight1
166.17
CAS
35438-82-5
Sources

Physical Properties

Property Value Unit Source
Δf -198.95 kJ/mol Joback Calculated Property
Δfgas -471.93 kJ/mol Joback Calculated Property
Δfsolid -199.20 ± 1.30 kJ/mol NIST
Δfus 18.33 kJ/mol Joback Calculated Property
Δvap 48.96 kJ/mol Joback Calculated Property
logPoct/wat 0.90 Crippen Calculated Property
Pc 3530.46 kPa Joback Calculated Property
Tboil 588.69 K Joback Calculated Property
Tc 838.56 K Joback Calculated Property
Tfus 376.04 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 321.30 J/mol×K 588.69 Joback Calculated Property
ΔsubH 49.50 ± 1.00 kJ/mol 325.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 1
=CH- (ring) 2
>C=O (ring) 2
>CH- (ring) 3
-CH2- (ring) 1

Similar Compounds

3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride. cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydride. 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-. Carbic anhydride. (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride. Bicyclo[2.2.2]-7-octene-2,3,5,6-tetracarboxylic acid dianhydride. cis-1,2,3,6-Tetrahydrophthalic anhydride. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-. 1,2,3,6-tetrahydromethylphthalic anhydride. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-. Bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, bis(2-ethylhexyl)ester. 2-Dodecen-1-yl(-)succinic anhydride. Hexadec-2-enylsuccinic anhydride. Succinic anhydride, 2-(2-decenyl)-. Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester.

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