ChemSpider 2D Image | MFCD00190391 | C4H7D3

MFCD00190391

  • Molecular FormulaC4H7D3
  • Average mass61.141 Da
  • Monoisotopic mass61.097080 Da
  • ChemSpider ID21170036
  • Non-standard isotope - Non-standard isotope


More details:






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

(1,1,1-2H3)Butan [German] [ACD/IUPAC Name]
(1,1,1-2H3)Butane [ACD/IUPAC Name]
(1,1,1-2H3)Butane [French] [ACD/IUPAC Name]
53716-51-1 [RN]
Butane-1,1,1-d3 [ACD/Index Name]
Butane-1,1,1-d3
MFCD00190391
"(1,1,1-²H?)BUTANE"|"(1,1,1-²H?)BUTANE"
1,1,1-Trideuterobutane
diethyl [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

588385_ALDRICH [DBID]

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

Density: 0.6±0.1 g/cm3
Boiling Point: -1.7±3.0 °C at 760 mmHg
Vapour Pressure: 1918.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.4±0.0 kJ/mol
Flash Point: -70.9±6.6 °C
Index of Refraction: 1.354
Molar Refractivity: 20.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.90
ACD/KOC (pH 5.5): 546.85
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.90
ACD/KOC (pH 7.4): 546.85
Polar Surface Area: 0 Å2
Polarizability: 8.2±0.5 10-24cm3
Surface Tension: 16.7±3.0 dyne/cm
Molar Volume: 94.6±3.0 cm3

Click to predict properties on the Chemicalize site






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