ChemSpider 2D Image | petrichloral | C13H16Cl12O8

petrichloral

  • Molecular FormulaC13H16Cl12O8
  • Average mass725.697 Da
  • Monoisotopic mass719.710754 Da
  • ChemSpider ID6272

More details:






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

1,1'-[2,2-Bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]-1,3-propanediylbis(oxy)]bis[2,2,2-trichloroethanol]
2,2,2-Trichlor-1-{3-(2,2,2-trichlor-1-hydroxyethoxy)-2,2-bis[(2,2,2-trichlor-1-hydroxyethoxy)methyl]propoxy}ethanol [German] [ACD/IUPAC Name]
2,2,2-Trichloro-1-{3-(2,2,2-trichloro-1-hydroxyethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]propoxy}ethanol [ACD/IUPAC Name]
2,2,2-Trichloro-1-{3-(2,2,2-trichloro-1-hydroxyéthoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxyéthoxy)méthyl]propoxy}éthanol [French] [ACD/IUPAC Name]
78-12-6 [RN]
Pentaerythritol Chloral
petrichloral [INN] [Wiki]
pétrichloral [French] [INN]
Petrichloralum [Latin]
Petricloral [Spanish] [INN]
More...

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

BRN 1717882 [DBID]
DEA No. 2591 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.28
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74205.68
ACD/KOC (pH 5.5): 106619.07
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74006.66
ACD/KOC (pH 7.4): 106333.12
Polar Surface Area: 118 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 397.0±3.0 cm3

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