ChemSpider 2D Image | 1-Isothiocyanato-1-methylcyclobutane | C6H9NS

1-Isothiocyanato-1-methylcyclobutane

  • Molecular FormulaC6H9NS
  • Average mass127.207 Da
  • Monoisotopic mass127.045570 Da
  • ChemSpider ID42203789

More details:






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

1-Isothiocyanato-1-methylcyclobutan [German] [ACD/IUPAC Name]
1-Isothiocyanato-1-methylcyclobutane [ACD/IUPAC Name]
1-Isothiocyanato-1-méthylcyclobutane [French] [ACD/IUPAC Name]
Cyclobutane, 1-isothiocyanato-1-methyl- [ACD/Index Name]
1599342-41-2 [RN]
MFCD29041356

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 185.3±7.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 59.5±26.0 °C
Index of Refraction: 1.563
Molar Refractivity: 38.4±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.03
ACD/KOC (pH 5.5): 628.97
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.03
ACD/KOC (pH 7.4): 628.97
Polar Surface Area: 44 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 118.1±7.0 cm3

Click to predict properties on the Chemicalize site






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