ChemSpider 2D Image | Bis[(~2~H_3_)methyl] isophthalate | C10H4D6O4

Bis[(2H3)methyl] isophthalate

  • Molecular FormulaC10H4D6O4
  • Average mass200.221 Da
  • Monoisotopic mass200.095566 Da
  • ChemSpider ID29272965

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzenedicarboxylic acid, dimethyl-d3 ester [ACD/Index Name]
Bis[(2H3)methyl] isophthalate [ACD/IUPAC Name]
Bis[(2H3)methyl]-isophthalat [German] [ACD/IUPAC Name]
Isophtalate de bis[(2H3)méthyle] [French] [ACD/IUPAC Name]
DI(2H3)METHYL ISOPHTHALATE
ISOPHTHALIC ACID DIMETHYL ESTER (D6)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 285.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 148.0±7.9 °C
Index of Refraction: 1.515
Molar Refractivity: 49.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.66
ACD/KOC (pH 5.5): 324.90
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.66
ACD/KOC (pH 7.4): 324.90
Polar Surface Area: 53 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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