ChemSpider 2D Image | 1,1-Dimethyl-3-hydroxybutyl peroxy-2-ethylhexanoate | C14H28O4

1,1-Dimethyl-3-hydroxybutyl peroxy-2-ethylhexanoate

  • Molecular FormulaC14H28O4
  • Average mass260.370 Da
  • Monoisotopic mass260.198761 Da
  • ChemSpider ID23353963

More details:

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

1,1-Dimethyl-3-hydroxybutyl peroxy-2-ethylhexanoate
2-Éthylhexaneperoxoate de 4-hydroxy-2-méthyl-2-pentanyle [French] [ACD/IUPAC Name]
4-Hydroxy-2-methyl-2-pentanyl 2-ethylhexaneperoxoate [ACD/IUPAC Name]
4-Hydroxy-2-methyl-2-pentanyl-2-ethylhexanperoxoat [German] [ACD/IUPAC Name]
95732-35-7 [RN]
Hexaneperoxoic acid, 2-ethyl-, 3-hydroxy-1,1-dimethylbutyl 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: 336.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.2±6.0 kJ/mol
Flash Point: 111.1±21.9 °C
Index of Refraction: 1.449
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 408.84
ACD/KOC (pH 5.5): 2576.04
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 408.84
ACD/KOC (pH 7.4): 2576.04
Polar Surface Area: 56 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 267.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement