ChemSpider 2D Image | S-Ethyl O-(4-nitrophenyl) phenylphosphonothioate | C14H14NO4PS

S-Ethyl O-(4-nitrophenyl) phenylphosphonothioate

  • Molecular FormulaC14H14NO4PS
  • Average mass323.304 Da
  • Monoisotopic mass323.038116 Da
  • ChemSpider ID23621254

More details:

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

Phénylphosphonothioate de S-éthyle et de O-(4-nitrophényle) [French] [ACD/IUPAC Name]
Phosphonothioic acid, P-phenyl-, S-ethyl O-(4-nitrophenyl) ester [ACD/Index Name]
S-Ethyl O-(4-nitrophenyl) phenylphosphonothioate [ACD/IUPAC Name]
S-Ethyl-O-(4-nitrophenyl)-phenylphosphonothioat [German] [ACD/IUPAC Name]
PHOSPHONOTHIOIC ACID, PHENYL ETHYL P-NITROPHENYL ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 466.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 236.0±29.3 °C
Index of Refraction: 1.608
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.00
ACD/KOC (pH 5.5): 2127.73
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.00
ACD/KOC (pH 7.4): 2127.73
Polar Surface Area: 107 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 240.8±5.0 cm3

Click to predict properties on the Chemicalize site


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