ChemSpider 2D Image | (3R)-3,4-Dimethylpentanal | C7H14O

(3R)-3,4-Dimethylpentanal

  • Molecular FormulaC7H14O
  • Average mass114.186 Da
  • Monoisotopic mass114.104462 Da
  • ChemSpider ID57571546
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3,4-Dimethylpentanal [German] [ACD/IUPAC Name]
(3R)-3,4-Dimethylpentanal [ACD/IUPAC Name]
(3R)-3,4-Diméthylpentanal [French] [ACD/IUPAC Name]
Pentanal, 3,4-dimethyl-, (3R)- [ACD/Index Name]
29017-18-3 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 134.5±8.0 °C at 760 mmHg
Vapour Pressure: 8.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.2±3.0 kJ/mol
Flash Point: 33.4±10.7 °C
Index of Refraction: 1.402
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.64
ACD/KOC (pH 5.5): 271.57
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.64
ACD/KOC (pH 7.4): 271.57
Polar Surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 142.2±3.0 cm3

Click to predict properties on the Chemicalize site






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