ChemSpider 2D Image | 6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl dihydrogen phosphate | C21H31O5P

6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl dihydrogen phosphate

  • Molecular FormulaC21H31O5P
  • Average mass394.442 Da
  • Monoisotopic mass394.190918 Da
  • ChemSpider ID21396139

More details:






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

6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, dihydrogen phosphate [ACD/Index Name]
Dihydrogénophosphate de 6,6,9-triméthyl-3-pentyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 511.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.1±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 338.0±3.0 cm3

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