ChemSpider 2D Image | bis-[3,4,6-trichloro-2-(pentyloxycarbonyl)-phenyl] oxalate | C26H24Cl6O8

bis-[3,4,6-trichloro-2-(pentyloxycarbonyl)-phenyl] oxalate

  • Molecular FormulaC26H24Cl6O8
  • Average mass677.182 Da
  • Monoisotopic mass673.960205 Da
  • ChemSpider ID84082

More details:






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

250-195-3 [EINECS]
bis-[3,4,6-trichloro-2-(pentyloxycarbonyl)-phenyl] oxalate
Bis{3,4,6-trichlor-2-[(pentyloxy)carbonyl]phenyl}oxalat [German] [ACD/IUPAC Name]
Bis{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl} oxalate [ACD/IUPAC Name]
Ethanedioic acid, bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) ester
Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester [ACD/Index Name]
Oxalate de bis{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phényle} [French] [ACD/IUPAC Name]
[30431-54-0]
102579-84-0 [RN]
112538-75-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

89536_FLUKA [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 202.4±30.5 °C
Index of Refraction: 1.565
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.79
ACD/LogD (pH 5.5): 10.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 472.1±3.0 cm3

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