ChemSpider 2D Image | 3-(1,3-Dioxan-2-yl)-1-[4-(methylsulfanyl)phenyl]-1-propanol | C14H20O3S

3-(1,3-Dioxan-2-yl)-1-[4-(methylsulfanyl)phenyl]-1-propanol

  • Molecular FormulaC14H20O3S
  • Average mass268.372 Da
  • Monoisotopic mass268.113312 Da
  • ChemSpider ID35330977

More details:

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

1,3-Dioxane-2-propanol, α-[4-(methylthio)phenyl]- [ACD/Index Name]
3-(1,3-Dioxan-2-yl)-1-[4-(methylsulfanyl)phenyl]-1-propanol [German] [ACD/IUPAC Name]
3-(1,3-Dioxan-2-yl)-1-[4-(methylsulfanyl)phenyl]-1-propanol [ACD/IUPAC Name]
3-(1,3-Dioxan-2-yl)-1-[4-(méthylsulfanyl)phényl]-1-propanol [French] [ACD/IUPAC Name]
138793-02-9 [RN]
3-[2-(1,3-Dioxanyl)]-1-(4-methylthiophenyl)-1-propanol
atoms 18 bonds 19
MFCD07782368

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.8±25.9 °C
Index of Refraction: 1.571
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.40
ACD/KOC (pH 5.5): 322.22
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.40
ACD/KOC (pH 7.4): 322.22
Polar Surface Area: 64 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 227.4±5.0 cm3

Click to predict properties on the Chemicalize site


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