ChemSpider 2D Image | 3,3,7,8,12,13,17,18-Octaethyl-2(3H)-porphyrinone | C36H46N4O

3,3,7,8,12,13,17,18-Octaethyl-2(3H)-porphyrinone

  • Molecular FormulaC36H46N4O
  • Average mass550.777 Da
  • Monoisotopic mass550.367188 Da
  • ChemSpider ID4528464

  • Double-bond stereo - Double-bond stereo

More details:

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

2,3,7,7,12,13,17,18-Octaethyl-21H,23H-porphine-8-one
21H,23H-Porphin-7(8H)-one, 2,3,8,8,12,13,17,18-octaethyl- [ACD/Index Name]
3,3,7,8,12,13,17,18-Octaéthyl-2(3H)-porphyrineone [French] [ACD/IUPAC Name]
3,3,7,8,12,13,17,18-Octaethyl-2(3H)-porphyrinon [German] [ACD/IUPAC Name]
3,3,7,8,12,13,17,18-Octaethyl-2(3H)-porphyrinone [ACD/IUPAC 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: 875.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 429.8±40.7 °C
Index of Refraction: 1.569
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.26
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 74 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 508.4±3.0 cm3

Click to predict properties on the Chemicalize site


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