ChemSpider 2D Image | (3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol | C8H18O3

(3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol

  • Molecular FormulaC8H18O3
  • Average mass162.227 Da
  • Monoisotopic mass162.125595 Da
  • ChemSpider ID103883874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol [German] [ACD/IUPAC Name]
(3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol [ACD/IUPAC Name]
(3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 3-[(3R)-3-hydroxybutoxy]-, (3R)- [ACD/Index Name]
94109-58-7 [RN]
rel-(3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 278.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 122.2±20.4 °C
Index of Refraction: 1.451
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.04
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.04
Polar Surface Area: 50 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 162.7±3.0 cm3

Click to predict properties on the Chemicalize site


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