ChemSpider 2D Image | 1-Methyl-4-(methylsulfanyl)naphthalene | C12H12S

1-Methyl-4-(methylsulfanyl)naphthalene

  • Molecular FormulaC12H12S
  • Average mass188.289 Da
  • Monoisotopic mass188.065964 Da
  • ChemSpider ID28712558

More details:

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

1-Méthyl-4-(méthylsulfanyl)naphtalène [French] [ACD/IUPAC Name]
1-Methyl-4-(methylsulfanyl)naphthalene [ACD/IUPAC Name]
1-Methyl-4-(methylsulfanyl)naphthalin [German] [ACD/IUPAC Name]
Naphthalene, 1-methyl-4-(methylthio)- [ACD/Index Name]
95332-88-0 [RN]
Methyl(4-methylnaphthalen-1-yl)sulfane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 139.1±12.1 °C
Index of Refraction: 1.641
Molar Refractivity: 61.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1612.07
ACD/KOC (pH 5.5): 6877.70
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1612.07
ACD/KOC (pH 7.4): 6877.70
Polar Surface Area: 25 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 170.6±5.0 cm3

Click to predict properties on the Chemicalize site


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