ChemSpider 2D Image | 1-(1-~2~H_1_)Heptanol | C7H15DO

1-(1-2H1)Heptanol

  • Molecular FormulaC7H15DO
  • Average mass117.207 Da
  • Monoisotopic mass117.126389 Da
  • ChemSpider ID24533804
  • Non-standard isotope - Non-standard isotope


More details:






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

(1-2H1)Heptan-1-ol
1-(1-2H1)Heptanol [German] [ACD/IUPAC Name]
1-(1-2H1)Heptanol [ACD/IUPAC Name]
1-(1-2H1)Heptanol [French] [ACD/IUPAC Name]
1-Heptan-1-d-ol [ACD/Index Name]
1-Hydroxyheptane, Enanthic Alcohol
38007-42-0 [RN]
n-Heptanol
n-Heptyl-1-d1 Alcohol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 176.9±3.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.7 mmHg at 25°C
Enthalpy of Vaporization: 48.1±6.0 kJ/mol
Flash Point: 73.9±0.0 °C
Index of Refraction: 1.422
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.32
ACD/KOC (pH 5.5): 693.15
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.32
ACD/KOC (pH 7.4): 693.15
Polar Surface Area: 20 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 28.6±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site






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