ChemSpider 2D Image | 4-methylhexahydrophthalic anhydride | C9H12O3

4-methylhexahydrophthalic anhydride

  • Molecular FormulaC9H12O3
  • Average mass168.190 Da
  • Monoisotopic mass168.078644 Da
  • ChemSpider ID32697484

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
(3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione [ACD/IUPAC Name]
(3aR,7aS)-5-Méthylhexahydro-2-benzofurane-1,3-dione [French] [ACD/IUPAC Name]
1,3-Isobenzofurandione, hexahydro-5-methyl-, (3aR,7aS)- [ACD/Index Name]
19438-60-9 [RN]
243-072-0 [EINECS]
4-methylhexahydrophthalic anhydride

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0A6XX8MUNL [DBID]
UNII:0A6XX8MUNL [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 300.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 140.0±16.5 °C
Index of Refraction: 1.486
Molar Refractivity: 41.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 60.77
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 60.77
Polar Surface Area: 43 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 144.7±3.0 cm3

Click to predict properties on the Chemicalize site


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