ChemSpider 2D Image | Diethyl [1-(2-thienylmethyl)-2-pyrrolidinyl]phosphonate | C13H22NO3PS

Diethyl [1-(2-thienylmethyl)-2-pyrrolidinyl]phosphonate

  • Molecular FormulaC13H22NO3PS
  • Average mass303.357 Da
  • Monoisotopic mass303.105804 Da
  • ChemSpider ID74809219

More details:

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

[1-(2-Thiénylméthyl)-2-pyrrolidinyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [1-(2-thienylmethyl)-2-pyrrolidinyl]phosphonate [ACD/IUPAC Name]
Diethyl-[1-(2-thienylmethyl)-2-pyrrolidinyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[1-(2-thienylmethyl)-2-pyrrolidinyl]-, diethyl ester [ACD/Index 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: 391.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.4±26.5 °C
Index of Refraction: 1.530
Molar Refractivity: 78.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.47
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 12.32
ACD/KOC (pH 7.4): 184.68
Polar Surface Area: 77 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 254.5±5.0 cm3

Click to predict properties on the Chemicalize site


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