ChemSpider 2D Image | 2,2,4-Trimethyl-1,3-pentanediyl bis[2-(~2~H_3_)methyl(~2~H_4_)propanoate] | C16H16D14O4

2,2,4-Trimethyl-1,3-pentanediyl bis[2-(2H3)methyl(2H4)propanoate]

  • Molecular FormulaC16H16D14O4
  • Average mass300.493 Da
  • Monoisotopic mass300.302277 Da
  • ChemSpider ID107434938

  • Non-standard isotope - Non-standard isotope

More details:

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

2,2,4-Trimethyl-1,3-pentandiyl-bis[2-(2H3)methyl(2H4)propanoat] [German] [ACD/IUPAC Name]
2,2,4-Trimethyl-1,3-pentanediyl bis[2-(2H3)methyl(2H4)propanoate] [ACD/IUPAC Name]
Bis[2-(2H3)méthyl(2H4)propanoate] de 2,2,4-triméthyl-1,3-pentanediyle [French] [ACD/IUPAC Name]
Propanoic-2,3,3,3-d4 acid, 2-(methyl-d3)-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 280.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 154.6±18.8 °C
Index of Refraction: 1.441
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 790.87
ACD/KOC (pH 5.5): 4131.10
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 790.87
ACD/KOC (pH 7.4): 4131.10
Polar Surface Area: 53 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement