ChemSpider 2D Image | 4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-hexylbutyrophenone | C22H34O3

4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-hexylbutyrophenone

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID21402669

More details:

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

1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)- [ACD/Index Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-butanon [German] [ACD/IUPAC Name]
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)-1-butanone [ACD/IUPAC Name]
4-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-hexylphényl)-1-butanone [French] [ACD/IUPAC Name]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-hexylbutyrophenone
898787-29-6 [RN]
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-hexylphenyl)butan-1-one
4-(5,5-dimethyl-1,3-dioxan-2-yl)-4-hexylbutyrophenone
MFCD03844281 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 458.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 223.3±11.0 °C
Index of Refraction: 1.489
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13373.64
ACD/KOC (pH 5.5): 31272.15
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13373.64
ACD/KOC (pH 7.4): 31272.15
Polar Surface Area: 36 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 355.8±3.0 cm3

Click to predict properties on the Chemicalize site


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