ChemSpider 2D Image | (3S)-3-{Bis[4-(2-methyl-2-propanyl)phenyl]phosphoryl}-3-phenyl-1-propanol | C29H37O2P

(3S)-3-{Bis[4-(2-methyl-2-propanyl)phenyl]phosphoryl}-3-phenyl-1-propanol

  • Molecular FormulaC29H37O2P
  • Average mass448.577 Da
  • Monoisotopic mass448.253113 Da
  • ChemSpider ID26994763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{Bis[4-(2-methyl-2-propanyl)phenyl]phosphoryl}-3-phenyl-1-propanol [German] [ACD/IUPAC Name]
(3S)-3-{Bis[4-(2-methyl-2-propanyl)phenyl]phosphoryl}-3-phenyl-1-propanol [ACD/IUPAC Name]
(3S)-3-{Bis[4-(2-méthyl-2-propanyl)phényl]phosphoryl}-3-phényl-1-propanol [French] [ACD/IUPAC Name]
Benzenepropanol, γ-[bis[4-(1,1-dimethylethyl)phenyl]phosphinyl]-, (γS)- [ACD/Index Name]
(S)-3-(bis(4-tert-butylphenyl)phosphoryl)-3-phenylpropan-1-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.5±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39386.41
ACD/KOC (pH 5.5): 67753.56
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39386.41
ACD/KOC (pH 7.4): 67753.56
Polar Surface Area: 47 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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