ChemSpider 2D Image | (3S)-3-(Butoxymethyl)heptane | C12H26O

(3S)-3-(Butoxymethyl)heptane

  • Molecular FormulaC12H26O
  • Average mass186.334 Da
  • Monoisotopic mass186.198364 Da
  • ChemSpider ID75585900

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Butoxymethyl)heptan [German] [ACD/IUPAC Name]
(3S)-3-(Butoxymethyl)heptane [ACD/IUPAC Name]
(3S)-3-(Butoxyméthyl)heptane [French] [ACD/IUPAC Name]
Heptane, 3-(butoxymethyl)-, (3S)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 214.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±3.0 kJ/mol
Flash Point: 70.9±10.2 °C
Index of Refraction: 1.422
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2238.98
ACD/KOC (pH 5.5): 8700.86
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2238.98
ACD/KOC (pH 7.4): 8700.86
Polar Surface Area: 9 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 25.9±3.0 dyne/cm
Molar Volume: 233.4±3.0 cm3

Click to predict properties on the Chemicalize site


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