ChemSpider 2D Image | 1-BUTANOL-1,1,2,2-D4 | C4H6D4O

1-BUTANOL-1,1,2,2-D4

  • Molecular FormulaC4H6D4O
  • Average mass78.146 Da
  • Monoisotopic mass78.098274 Da
  • ChemSpider ID24532968

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,1,2,2-2H4)Butan-1-ol
1-(1,1,2,2-2H4)Butanol [German] [ACD/IUPAC Name]
1-(1,1,2,2-2H4)Butanol [ACD/IUPAC Name]
1-(1,1,2,2-2H4)Butanol [French] [ACD/IUPAC Name]
118104-91-9 [RN]
1-Butan-1,1,2,2-d4-ol [ACD/Index Name]
1-BUTANOL-1,1,2,2-D4
1-Butanol [ACD/Index Name] [ACD/IUPAC Name]
1-Butanol, n-Butanol
n-Butyl-1,1,2,2-d4 Alcohol

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

AI3-01777 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 117.7±3.0 °C at 760 mmHg
Vapour Pressure: 8.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±0.0 kJ/mol
Flash Point: 35.0±0.0 °C
Index of Refraction: 1.396
Molar Refractivity: 22.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 65.23
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 65.23
Polar Surface Area: 20 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 26.1±3.0 dyne/cm
Molar Volume: 92.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement