ChemSpider 2D Image | Diethyl [4-(cyclopropylethynyl)benzyl]phosphonate | C16H21O3P

Diethyl [4-(cyclopropylethynyl)benzyl]phosphonate

  • Molecular FormulaC16H21O3P
  • Average mass292.310 Da
  • Monoisotopic mass292.122833 Da
  • ChemSpider ID88064318

More details:

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

[4-(Cyclopropyléthynyl)benzyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [4-(cyclopropylethynyl)benzyl]phosphonate [ACD/IUPAC Name]
Diethyl-[4-(cyclopropylethinyl)benzyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[4-(2-cyclopropylethynyl)phenyl]methyl]-, diethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 420.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 221.7±47.1 °C
Index of Refraction: 1.529
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.19
ACD/KOC (pH 5.5): 1059.67
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.19
ACD/KOC (pH 7.4): 1059.67
Polar Surface Area: 45 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 257.0±5.0 cm3

Click to predict properties on the Chemicalize site


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