ChemSpider 2D Image | tetrahydrofurfuryl 2-mercaptopropionate | C8H14O3S

tetrahydrofurfuryl 2-mercaptopropionate

  • Molecular FormulaC8H14O3S
  • Average mass190.260 Da
  • Monoisotopic mass190.066360 Da
  • ChemSpider ID32701522

More details:

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

(Tetrahydro-2-furanyl)methyl 2-mercaptopropanoate
2-Sulfanylpropanoate de tétrahydro-2-furanylméthyle [French] [ACD/IUPAC Name]
99253-91-5 [RN]
Propanoic acid, 2-mercapto-, (tetrahydro-2-furanyl)methyl ester [ACD/Index Name]
T5OTJ B1OVY1&SH [WLN]
Tetrahydro-2-furanylmethyl 2-sulfanylpropanoate
Tetrahydro-2-furanylmethyl-2-sulfanylpropanoat [German] [ACD/IUPAC Name]
Tetrahydrofuran-2-ylmethyl 2-mercaptopropionate [ACD/IUPAC Name]
tetrahydrofurfuryl 2-mercaptopropionate [ACD/IUPAC Name]
2-TETRAHYDROFURFURYL 2-MERCAPTOPROPIONATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII:XK1J81950O [DBID]
XK1J81950O [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 290.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 185.5±8.3 °C
Index of Refraction: 1.486
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 115.83
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.79
ACD/KOC (pH 7.4): 103.41
Polar Surface Area: 74 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 168.3±3.0 cm3

Click to predict properties on the Chemicalize site


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