ChemSpider 2D Image | (4R)-2-Methyl-4-[(1R)-2,2,2-trichloro-1-hydroxyethoxy]-2-pentanol | C8H15Cl3O3

(4R)-2-Methyl-4-[(1R)-2,2,2-trichloro-1-hydroxyethoxy]-2-pentanol

  • Molecular FormulaC8H15Cl3O3
  • Average mass265.562 Da
  • Monoisotopic mass264.008667 Da
  • ChemSpider ID34994974

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-2-Methyl-4-[(1R)-2,2,2-trichlor-1-hydroxyethoxy]-2-pentanol [German] [ACD/IUPAC Name]
(4R)-2-Methyl-4-[(1R)-2,2,2-trichloro-1-hydroxyethoxy]-2-pentanol [ACD/IUPAC Name]
(4R)-2-Méthyl-4-[(1R)-2,2,2-trichloro-1-hydroxyéthoxy]-2-pentanol [French] [ACD/IUPAC Name]
2-Pentanol, 2-methyl-4-[(1R)-2,2,2-trichloro-1-hydroxyethoxy]-, (4R)- [ACD/Index Name]
222-634-9 [EINECS]
3563-58-4 [RN]
Chlorhexadol
UNII-W8RD4N93R2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 304.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 138.1±26.5 °C
Index of Refraction: 1.504
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.31
ACD/KOC (pH 5.5): 437.18
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.29
ACD/KOC (pH 7.4): 436.98
Polar Surface Area: 50 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 197.0±3.0 cm3

Click to predict properties on the Chemicalize site


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