ChemSpider 2D Image | (3-Ethyl-2-hydroxy-5-nitrobenzyl)phosphonic acid | C9H12NO6P

(3-Ethyl-2-hydroxy-5-nitrobenzyl)phosphonic acid

  • Molecular FormulaC9H12NO6P
  • Average mass261.168 Da
  • Monoisotopic mass261.040222 Da
  • ChemSpider ID28587486

More details:

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

(3-Ethyl-2-hydroxy-5-nitrobenzyl)phosphonic acid [ACD/IUPAC Name]
(3-Ethyl-2-hydroxy-5-nitrobenzyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (3-éthyl-2-hydroxy-5-nitrobenzyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(3-ethyl-2-hydroxy-5-nitrophenyl)methyl]- [ACD/Index Name]
[(3-Ethyl-2-hydroxy-5-nitrophenyl)methyl]phosphonic acid
917887-02-6 [RN]
PHOSPHONIC ACID, P-[(3-ETHYL-2-HYDROXY-5-NITROPHENYL)METHYL]-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 565.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 168.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement