ChemSpider 2D Image | (2S)-3,3-Diethoxy-1,2-propanediol | C7H16O4

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

  • Molecular FormulaC7H16O4
  • Average mass164.199 Da
  • Monoisotopic mass164.104858 Da
  • ChemSpider ID28412739

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3,3-Diethoxy-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3,3-Diethoxy-1,2-propanediol [ACD/IUPAC Name]
(2S)-3,3-Diéthoxy-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3,3-diethoxy-, (2S)- [ACD/Index Name]
l-glyceraldehyde-diethylacetal

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

Density: 1.1±0.1 g/cm3
Boiling Point: 278.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.1±6.0 kJ/mol
Flash Point: 122.4±25.9 °C
Index of Refraction: 1.449
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.54
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.54
Polar Surface Area: 59 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 152.6±3.0 cm3

Click to predict properties on the Chemicalize site


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