ChemSpider 2D Image | 2-[(4S)-2,2,4-Trimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate | C9H18O5S

2-[(4S)-2,2,4-Trimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate

  • Molecular FormulaC9H18O5S
  • Average mass238.301 Da
  • Monoisotopic mass238.087494 Da
  • ChemSpider ID61326796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Dioxolane-4-ethanol, 2,2,4-trimethyl-, methanesulfonate, (4S)- [ACD/Index Name]
2-[(4S)-2,2,4-Trimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate [ACD/IUPAC Name]
2-[(4S)-2,2,4-Trimethyl-1,3-dioxolan-4-yl]ethyl-methansulfonat [German] [ACD/IUPAC Name]
Méthanesulfonate de 2-[(4S)-2,2,4-triméthyl-1,3-dioxolan-4-yl]éthyle [French] [ACD/IUPAC Name]
64018-44-6 [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: 335.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 156.5±20.9 °C
Index of Refraction: 1.446
Molar Refractivity: 55.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.64
ACD/KOC (pH 5.5): 87.79
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.64
ACD/KOC (pH 7.4): 87.79
Polar Surface Area: 70 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 209.1±3.0 cm3

Click to predict properties on the Chemicalize site


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