ChemSpider 2D Image | (3S)-Tetrahydro-3-furanylmethyl 4-methylbenzenesulfonate | C12H16O4S

(3S)-Tetrahydro-3-furanylmethyl 4-methylbenzenesulfonate

  • Molecular FormulaC12H16O4S
  • Average mass256.318 Da
  • Monoisotopic mass256.076935 Da
  • ChemSpider ID113058233

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanylmethyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanylmethyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
3-Furanmethanol, tetrahydro-, 4-methylbenzenesulfonate, (3S)- [ACD/Index Name]
4-Méthylbenzènesulfonate de (3S)-tétrahydro-3-furanylméthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 194.1±20.4 °C
Index of Refraction: 1.530
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.25
ACD/KOC (pH 5.5): 310.29
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.25
ACD/KOC (pH 7.4): 310.29
Polar Surface Area: 61 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 209.6±3.0 cm3

Click to predict properties on the Chemicalize site


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