ChemSpider 2D Image | Dimethyl [2-oxo-3-(3-thienyl)propyl]phosphonate | C9H13O4PS

Dimethyl [2-oxo-3-(3-thienyl)propyl]phosphonate

  • Molecular FormulaC9H13O4PS
  • Average mass248.236 Da
  • Monoisotopic mass248.027222 Da
  • ChemSpider ID57442677

More details:

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

[2-Oxo-3-(3-thiényl)propyl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [2-oxo-3-(3-thienyl)propyl]phosphonate [ACD/IUPAC Name]
Dimethyl-[2-oxo-3-(3-thienyl)propyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[2-oxo-3-(3-thienyl)propyl]-, dimethyl ester [ACD/Index Name]
52344-55-5 [RN]
Dimethyl [2-oxo-3-(thiophen-3-yl)propyl]phosphonate
PHOSPHONIC ACID, [2-OXO-3-(3-THIENYL)PROPYL]-, DIMETHYL ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 352.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 166.8±23.7 °C
Index of Refraction: 1.511
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.69
ACD/KOC (pH 5.5): 88.70
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 88.70
Polar Surface Area: 91 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 195.2±3.0 cm3

Click to predict properties on the Chemicalize site


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