Chemical Properties of cis-1,2,3,6-Tetrahydrophthalic anhydride (CAS 935-79-5)

cis-1,2,3,6-Tetrahydrophthalic anhydride

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InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+
InChI Key
KMOUUZVZFBCRAM-OLQVQODUSA-N
Formula
C8H8O3
SMILES
O=C1OC(=O)C2CC=CCC12
Molecular Weight1
152.15
CAS
935-79-5
Other Names
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis-
  • 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione, (Z)-
  • Tetrahydrophthalic anhydride
  • cis-3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione
  • cis-4-Cyclohexene-1,2-dicarboxylic anhydride
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3519.00 ± 2.00 kJ/mol NIST
Δf -199.66 kJ/mol Joback Calculated Property
Δfgas -430.95 kJ/mol Joback Calculated Property
Δfsolid -772.00 ± 2.00 kJ/mol NIST
Δfus 14.67 kJ/mol Joback Calculated Property
Δvap 47.04 kJ/mol Joback Calculated Property
logPoct/wat 0.652 Crippen Calculated Property
Pc 4140.93 kPa Joback Calculated Property
Tboil 570.48 K Joback Calculated Property
Tc 825.93 K Joback Calculated Property
Tfus 369.01 K Joback Calculated Property
Ttriple 371.60 ± 1.50 K NIST
Vc 0.395 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 272.11 J/mol×K 570.48 Joback Calculated Property
ΔsubH 53.10 ± 0.20 kJ/mol 325.0 NIST
ΔvapH 53.10 ± 0.10 kJ/mol 425.0 NIST

Molecular Descriptors

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

Similar Compounds

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-. 2-Dodecen-1-yl(-)succinic anhydride. Succinic anhydride, 2-(2-decenyl)-. Hexadec-2-enylsuccinic anhydride. 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride. cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-. 1,2,3,6-tetrahydromethylphthalic anhydride. 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-. cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydride. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylbutyl) ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl propyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 2-ethylbutyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-ethylbutyl) ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl ester.

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