ChemSpider 2D Image | Dimethyl [(1Z)-2-hydroxy-3-(3-thienyl)-1-propen-1-yl]phosphonate | C9H13O4PS

Dimethyl [(1Z)-2-hydroxy-3-(3-thienyl)-1-propen-1-yl]phosphonate

  • Molecular FormulaC9H13O4PS
  • Average mass248.236 Da
  • Monoisotopic mass248.027222 Da
  • ChemSpider ID95643807

More details:

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

[(1Z)-2-Hydroxy-3-(3-thiényl)-1-propén-1-yl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [(1Z)-2-hydroxy-3-(3-thienyl)-1-propen-1-yl]phosphonate [ACD/IUPAC Name]
Dimethyl-[(1Z)-2-hydroxy-3-(3-thienyl)-1-propen-1-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1Z)-2-hydroxy-3-(3-thienyl)-1-propen-1-yl]-, dimethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 380.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 183.6±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.03
ACD/KOC (pH 5.5): 168.11
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.12
ACD/KOC (pH 7.4): 151.19
Polar Surface Area: 94 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

Click to predict properties on the Chemicalize site


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