ChemSpider 2D Image | MFCD00134324 | C19H27NS

MFCD00134324

  • Molecular FormulaC19H27NS
  • Average mass301.489 Da
  • Monoisotopic mass301.186432 Da
  • ChemSpider ID21170905

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene [ACD/IUPAC Name]
1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzène [French] [ACD/IUPAC Name]
1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzol [German] [ACD/IUPAC Name]
92444-14-9 [RN]
Benzene, 1-(trans-4-hexylcyclohexyl)-4-isothiocyanato- [ACD/Index Name]
MFCD00134324
1-(trans-4-Hexylcyclohexyl)-4-isothio-
4-(4-isothiocyanatophenyl)-1-(4-trans-hexyl)cyclohexane
4-(trans-4-Hexylcyclohexyl)phenyl isothiocyanate

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

366854_SIAL [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 418.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 222.5±30.7 °C
Index of Refraction: 1.561
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 930957.31
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 930957.31
Polar Surface Area: 44 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 35.9±7.0 dyne/cm
Molar Volume: 294.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement