ChemSpider 2D Image | (1R,2R)-2-Iodocyclohexyl thiocyanate | C7H10INS

(1R,2R)-2-Iodocyclohexyl thiocyanate

  • Molecular FormulaC7H10INS
  • Average mass267.130 Da
  • Monoisotopic mass266.957855 Da
  • ChemSpider ID57619438

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-Iodcyclohexylthiocyanat [German] [ACD/IUPAC Name]
(1R,2R)-2-Iodocyclohexyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de (1R,2R)-2-iodocyclohexyle [French] [ACD/IUPAC Name]
Thiocyanic acid, (1R,2R)-2-iodocyclohexyl ester [ACD/Index Name]
60211-88-3 [RN]
trans-1-iodo-2-thiocyanatocyclohexane

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

Density: 1.7±0.1 g/cm3
Boiling Point: 325.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.4±24.8 °C
Index of Refraction: 1.603
Molar Refractivity: 53.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.73
ACD/KOC (pH 5.5): 634.52
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.73
ACD/KOC (pH 7.4): 634.52
Polar Surface Area: 49 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 155.0±5.0 cm3

Click to predict properties on the Chemicalize site


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