ChemSpider 2D Image | 2,2,5,5-Tetramethylhexyl (2R)-2,4-dimethyl-4-nitropentanoate | C17H33NO4

2,2,5,5-Tetramethylhexyl (2R)-2,4-dimethyl-4-nitropentanoate

  • Molecular FormulaC17H33NO4
  • Average mass315.448 Da
  • Monoisotopic mass315.240967 Da
  • ChemSpider ID62508439

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,4-Diméthyl-4-nitropentanoate de 2,2,5,5-tétraméthylhexyle [French] [ACD/IUPAC Name]
2,2,5,5-Tetramethylhexyl (2R)-2,4-dimethyl-4-nitropentanoate [ACD/IUPAC Name]
2,2,5,5-Tetramethylhexyl-(2R)-2,4-dimethyl-4-nitropentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 2,4-dimethyl-4-nitro-, 2,2,5,5-tetramethylhexyl ester, (2R)- [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: 383.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 119.2±25.2 °C
Index of Refraction: 1.455
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4995.35
ACD/KOC (pH 5.5): 15453.48
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4995.35
ACD/KOC (pH 7.4): 15453.48
Polar Surface Area: 72 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 325.9±3.0 cm3

Click to predict properties on the Chemicalize site


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