ChemSpider 2D Image | Ethyl 5-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxypentacyclo[5.3.0.0~2,6~.0~3,9~.0~4,8~]dec-5-yl)-4-oxopentanoate | C17H12Cl10O4

Ethyl 5-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxypentacyclo[5.3.0.02,6.03,9.04,8]dec-5-yl)-4-oxopentanoate

  • Molecular FormulaC17H12Cl10O4
  • Average mass634.805 Da
  • Monoisotopic mass629.762085 Da
  • ChemSpider ID19053

More details:

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

1,3,4-Metheno-1H-cyclobuta[cd]pentalene-2-levulinic acid, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-, ethyl ester
1,3,4-Metheno-1H-cyclobuta[cd]pentalene-2-pentanoic acid, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-γ-oxo-, ethyl ester
1,3,4-Metheno-1H-cyclobuta[cd]pentalene-2-pentanoic acid, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-γ-oxo-, ethyl ester [ACD/Index Name]
4234-79-1 [RN]
5-(1,2,3,4,6,7,8,9,10,10-Décachloro-5-hydroxypentacyclo[5.3.0.02,6.03,9.04,8]déc-5-yl)-4-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-2-hydroxy-1,3,4-metheno-2H-cyclobuta(cd)pentamethylene-2-levulinate
Ethyl 5-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxypentacyclo[5.3.0.02,6.03,9.04,8]dec-5-yl)-4-oxopentanoate [ACD/IUPAC Name]
ethyl 5-[1,1a,3,3a,4,5,5,5a,5b,6-decachloro-2-hydroxyoctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-yl]-4-oxopentanoate
Ethyl-5-(1,2,3,4,6,7,8,9,10,10-decachlor-5-hydroxypentacyclo[5.3.0.02,6.03,9.04,8]dec-5-yl)-4-oxopentanoat [German] [ACD/IUPAC Name]
1,3,4-Methano-1H-cyclobuta(cd)pentalene-2-pentanoic acid, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-γ-oxo-, ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-27154 [DBID]
Caswell No. 436C [DBID]
GC 9160 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.666
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 8924.51
ACD/KOC (pH 5.5): 22031.80
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 555.55
ACD/KOC (pH 7.4): 1371.49
Polar Surface Area: 64 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 329.5±5.0 cm3

Click to predict properties on the Chemicalize site


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