ChemSpider 2D Image | 4-[(1R,2R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl]-2-butyn-1-ol | C11H8Cl6O

4-[(1R,2R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl]-2-butyn-1-ol

  • Molecular FormulaC11H8Cl6O
  • Average mass368.899 Da
  • Monoisotopic mass365.870636 Da
  • ChemSpider ID74103592
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-Butyn-1-ol, 4-[(1R,2R,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl]- [ACD/Index Name]
4-[(1R,2R,4S)-1,4,5,6,7,7-Hexachlorbicyclo[2.2.1]hept-5-en-2-yl]-2-butin-1-ol [German] [ACD/IUPAC Name]
4-[(1R,2R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl]-2-butyn-1-ol [ACD/IUPAC Name]
4-[(1R,2R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-én-2-yl]-2-butyn-1-ol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 428.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 212.8±27.3 °C
Index of Refraction: 1.625
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1446.85
ACD/KOC (pH 5.5): 6365.46
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1446.85
ACD/KOC (pH 7.4): 6365.45
Polar Surface Area: 20 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 217.6±5.0 cm3

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