ChemSpider 2D Image | (2-Isothiocyanato-2-octanyl)benzene | C15H21NS

(2-Isothiocyanato-2-octanyl)benzene

  • Molecular FormulaC15H21NS
  • Average mass247.399 Da
  • Monoisotopic mass247.139465 Da
  • ChemSpider ID28590166

More details:

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

(2-Isothiocyanato-2-octanyl)benzene [ACD/IUPAC Name]
(2-Isothiocyanato-2-octanyl)benzène [French] [ACD/IUPAC Name]
(2-Isothiocyanato-2-octanyl)benzol [German] [ACD/IUPAC Name]
Benzene, (1-isothiocyanato-1-methylheptyl)- [ACD/Index Name]
(2-Isothiocyanatooctan-2-yl)benzene
919474-64-9 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 344.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 170.7±27.1 °C
Index of Refraction: 1.519
Molar Refractivity: 79.7±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 68784.49
ACD/KOC (pH 5.5): 100984.86
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68784.49
ACD/KOC (pH 7.4): 100984.86
Polar Surface Area: 44 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 32.5±7.0 dyne/cm
Molar Volume: 262.6±7.0 cm3

Click to predict properties on the Chemicalize site


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