ChemSpider 2D Image | (4R)-4-Methyl-3-heptanone | C8H16O

(4R)-4-Methyl-3-heptanone

  • Molecular FormulaC8H16O
  • Average mass128.212 Da
  • Monoisotopic mass128.120117 Da
  • ChemSpider ID60678978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-Methyl-3-heptanon [German] [ACD/IUPAC Name]
(4R)-4-Methyl-3-heptanone [ACD/IUPAC Name]
(4R)-4-Méthyl-3-heptanone [French] [ACD/IUPAC Name]
3-Heptanone, 4-methyl-, (4R)- [ACD/Index Name]
(r)-4-methyl-3-heptanone
4R-Methylheptan-3-one
51532-31-1 [RN]
MFCD24688651

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

Density: 0.8±0.1 g/cm3
Boiling Point: 159.9±8.0 °C at 760 mmHg
Vapour Pressure: 2.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.7±3.0 kJ/mol
Flash Point: 44.6±7.5 °C
Index of Refraction: 1.409
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.59
ACD/KOC (pH 5.5): 421.40
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.59
ACD/KOC (pH 7.4): 421.40
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 24.8±3.0 dyne/cm
Molar Volume: 158.1±3.0 cm3

Click to predict properties on the Chemicalize site


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