ChemSpider 2D Image | (2R,3S)-2-(1-Ethoxyethoxy)-3-methoxy-1,4-butanediol | C9H20O5

(2R,3S)-2-(1-Ethoxyethoxy)-3-methoxy-1,4-butanediol

  • Molecular FormulaC9H20O5
  • Average mass208.252 Da
  • Monoisotopic mass208.131073 Da
  • ChemSpider ID62841867

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3S)-2-(1-Ethoxyethoxy)-3-methoxy-1,4-butandiol [German] [ACD/IUPAC Name]
(2R,3S)-2-(1-Ethoxyethoxy)-3-methoxy-1,4-butanediol [ACD/IUPAC Name]
(2R,3S)-2-(1-Éthoxyéthoxy)-3-méthoxy-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 2-(1-ethoxyethoxy)-3-methoxy-, (2R,3S)- [ACD/Index Name]
531508-76-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 317.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 145.9±26.5 °C
Index of Refraction: 1.452
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.49
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.49
Polar Surface Area: 68 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 192.3±3.0 cm3

Click to predict properties on the Chemicalize site


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