ChemSpider 2D Image | 1-Isothiocyanato-3-methylcyclobutane | C6H9NS

1-Isothiocyanato-3-methylcyclobutane

  • Molecular FormulaC6H9NS
  • Average mass127.207 Da
  • Monoisotopic mass127.045570 Da
  • ChemSpider ID45886660

More details:






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

1-Isothiocyanato-3-methylcyclobutan [German] [ACD/IUPAC Name]
1-Isothiocyanato-3-methylcyclobutane [ACD/IUPAC Name]
1-Isothiocyanato-3-méthylcyclobutane [French] [ACD/IUPAC Name]
Cyclobutane, 1-isothiocyanato-3-methyl- [ACD/Index Name]
1403566-47-1 [RN]
MFCD22548756

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

Density: 1.1±0.1 g/cm3
Boiling Point: 192.4±7.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.1±3.0 kJ/mol
Flash Point: 64.6±26.0 °C
Index of Refraction: 1.586
Molar Refractivity: 37.8±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.81
ACD/KOC (pH 5.5): 792.83
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.81
ACD/KOC (pH 7.4): 792.83
Polar Surface Area: 44 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 34.0±7.0 dyne/cm
Molar Volume: 112.8±7.0 cm3

Click to predict properties on the Chemicalize site






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