ChemSpider 2D Image | (2-Allylphenyl)(2-methyl-1,3-dithian-2-yl)methanol | C15H20OS2

(2-Allylphenyl)(2-methyl-1,3-dithian-2-yl)methanol

  • Molecular FormulaC15H20OS2
  • Average mass280.449 Da
  • Monoisotopic mass280.095551 Da
  • ChemSpider ID21447263

More details:

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

(2-Allylphenyl)(2-methyl-1,3-dithian-2-yl)methanol [ACD/IUPAC Name]
(2-Allylphenyl)(2-methyl-1,3-dithian-2-yl)methanol [German] [ACD/IUPAC Name]
(2-Allylphényl)(2-méthyl-1,3-dithian-2-yl)méthanol [French] [ACD/IUPAC Name]
1,3-Dithiane-2-methanol, 2-methyl-α-[2-(2-propen-1-yl)phenyl]- [ACD/Index Name]
UPENNABS026
WSK_011

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 202.3±26.0 °C
Index of Refraction: 1.602
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.27
ACD/KOC (pH 5.5): 2230.23
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.26
ACD/KOC (pH 7.4): 2230.22
Polar Surface Area: 71 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 244.8±3.0 cm3

Click to predict properties on the Chemicalize site


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