ChemSpider 2D Image | (3S)-2,5-Dioxatricyclo[2.1.0.0~1,3~]pentane | C3H2O2

(3S)-2,5-Dioxatricyclo[2.1.0.01,3]pentane

  • Molecular FormulaC3H2O2
  • Average mass70.047 Da
  • Monoisotopic mass70.005478 Da
  • ChemSpider ID61715114

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1s,3R,4S)-2,5-Dioxatricyclo[2.1.0.01,3]pentan [German] [ACD/IUPAC Name]
(1s,3R,4S)-2,5-Dioxatricyclo[2.1.0.01,3]pentane [ACD/IUPAC Name]
(1s,3R,4S)-2,5-Dioxatricyclo[2.1.0.01,3]pentane [French] [ACD/IUPAC Name]
(3S)-2,5-Dioxatricyclo[2.1.0.01,3]pentan [German] [ACD/IUPAC Name]
(3S)-2,5-Dioxatricyclo[2.1.0.01,3]pentane [ACD/IUPAC Name]
(3S)-2,5-Dioxatricyclo[2.1.0.01,3]pentane [French] [ACD/IUPAC Name]
2,5-Dioxatricyclo[2.1.0.01,3]pentane, (3R,4S)- [ACD/Index Name]
2,5-Dioxatricyclo[2.1.0.01,3]pentane, (3S)- [ACD/Index Name]
1,2-Ethanediol [ACD/Index Name]
EDO

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

Density: 2.0±0.1 g/cm3
Boiling Point: 201.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 71.8±12.3 °C
Index of Refraction: 1.672
Molar Refractivity: 13.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.28
Polar Surface Area: 25 Å2
Polarizability: 5.3±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 35.4±5.0 cm3

Click to predict properties on the Chemicalize site


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