ChemSpider 2D Image | {2-[4-(4-Hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy]ethyl}phosphonic acid | C20H27O5P

{2-[4-(4-Hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy]ethyl}phosphonic acid

  • Molecular FormulaC20H27O5P
  • Average mass378.399 Da
  • Monoisotopic mass378.159607 Da
  • ChemSpider ID24686330

More details:

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

{2-[4-(4-Hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[4-(4-Hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {2-[4-(4-hydroxy-3-isopropylbenzyl)-3,5-diméthylphénoxy]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[4-[[4-hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]ethyl]- [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: 599.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.2±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 102.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 309.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement