Found 4 results

Search term: MF = 'C_{8}H_{5}D_{5}O_{2}'
ChemSpider 2D Image | methyl 1,2,3,4,5-pentadeuteriobenzoate | C8H5D5O2

methyl 1,2,3,4,5-pentadeuteriobenzoate

  • Molecular FormulaC8H5D5O2
  • Average mass143.195 Da
  • Monoisotopic mass143.099457 Da
  • ChemSpider ID25937408

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,3,4,5,6-2H5)-2,4-Cyclohexadiène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,4-Cyclohexadiene-1,3,4,5,6-d5-1-carboxylic acid, methyl ester [ACD/Index Name]
Methyl (1,3,4,5,6-2H5)-2,4-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
methyl 1,2,3,4,5-pentadeuteriobenzoate
Methyl-(1,3,4,5,6-2H5)-2,4-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 182.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 54.3±9.0 °C
Index of Refraction: 1.491
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.05
ACD/KOC (pH 5.5): 378.49
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.05
ACD/KOC (pH 7.4): 378.49
Polar Surface Area: 26 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 130.7±3.0 cm3

Click to predict properties on the Chemicalize site


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