Chemical Properties of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl- (CAS 3425-89-6)

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-

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InChI
InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3
InChI Key
OEMSKMUAMXLNKL-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
CC1=CCC2C(=O)OC(=O)C2C1
Molecular Weight1
166.17
CAS
3425-89-6
Other Names
  • 1,2,3,6-Tetrahydro-4-methylphthalic anhydride
  • 4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-
  • 4-Methyl-1,2,3,6-tetrahydrophthalic anhydride
  • 4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride
  • 4-Methyl-cyclohex-4-en-1,2-dicarboxylic acid anhydride
  • 4-Methyl-«delta»-4-tetrahydrophthalic anhydride
  • 4-Methyltetrahydrophthalic anhydride
  • 5-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
  • Isomethyltetrahydrophthalic anhydride
  • NSC 52669
Sources

Physical Properties

Property Value Unit Source
Δf -200.87 kJ/mol Joback Calculated Property
Δfgas -463.06 kJ/mol Joback Calculated Property
Δfus 16.87 kJ/mol Joback Calculated Property
Δvap 49.93 kJ/mol Joback Calculated Property
logPoct/wat 1.04 Crippen Calculated Property
Pc 3607.21 kPa Joback Calculated Property
Tboil 598.34 K Joback Calculated Property
Tc 849.13 K Joback Calculated Property
Tfus 392.80 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 318.84 J/mol×K 598.34 Joback Calculated Property
ΔfusH 17.67 kJ/mol 220.5 NIST

Molecular Descriptors

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

Similar Compounds

1,2,3,6-tetrahydromethylphthalic anhydride. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-. cis-1,2,3,6-Tetrahydrophthalic anhydride. 4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester. 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,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride. 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride. 2-Dodecen-1-yl(-)succinic anhydride. Succinic anhydride, 2-(2-decenyl)-. Hexadec-2-enylsuccinic anhydride. (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride. Carbic anhydride. Bicyclo[2.2.2]-7-octene-2,3,5,6-tetracarboxylic acid dianhydride. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl hexyl ester.

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