ChemSpider 2D Image | (3S)-1,1-Diethoxy-7-methoxy-3,7-dimethyloctane | C15H32O3

(3S)-1,1-Diethoxy-7-methoxy-3,7-dimethyloctane

  • Molecular FormulaC15H32O3
  • Average mass260.413 Da
  • Monoisotopic mass260.235138 Da
  • ChemSpider ID62508391

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1,1-Diethoxy-7-methoxy-3,7-dimethyloctan [German] [ACD/IUPAC Name]
(3S)-1,1-Diethoxy-7-methoxy-3,7-dimethyloctane [ACD/IUPAC Name]
(3S)-1,1-Diéthoxy-7-méthoxy-3,7-diméthyloctane [French] [ACD/IUPAC Name]
Octane, 1,1-diethoxy-7-methoxy-3,7-dimethyl-, (3S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 308.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 116.7±20.6 °C
Index of Refraction: 1.431
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.18
ACD/KOC (pH 5.5): 3427.09
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.18
ACD/KOC (pH 7.4): 3427.09
Polar Surface Area: 28 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 27.5±3.0 dyne/cm
Molar Volume: 296.0±3.0 cm3

Click to predict properties on the Chemicalize site


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