ChemSpider 2D Image | (2S)-3-(Nonyloxy)-1,2-propanediol | C12H26O3

(2S)-3-(Nonyloxy)-1,2-propanediol

  • Molecular FormulaC12H26O3
  • Average mass218.333 Da
  • Monoisotopic mass218.188202 Da
  • ChemSpider ID34986857

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(Nonyloxy)-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-(Nonyloxy)-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-(Nonyloxy)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-(nonyloxy)-, (2S)- [ACD/Index Name]
113676-50-9 [RN]
3-(NONYLOXY)1,2-PROPANEDIOL
UNII-73E9M7IT67

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.5±6.0 kJ/mol
Flash Point: 163.6±22.3 °C
Index of Refraction: 1.459
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.05
ACD/KOC (pH 5.5): 1801.43
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.05
ACD/KOC (pH 7.4): 1801.43
Polar Surface Area: 50 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 228.4±3.0 cm3

Click to predict properties on the Chemicalize site


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