ChemSpider 2D Image | Adam-Ii | C25H26Cl2O8


  • Molecular FormulaC25H26Cl2O8
  • Average mass525.375 Da
  • Monoisotopic mass524.100464 Da
  • ChemSpider ID348774

More details:

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

204864-54-0 [RN]
3,3'-(6-Méthoxy-6-oxo-1-hexène-1,1-diyl)bis(5-chloro-6-méthoxybenzoate) de diméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-(6-methoxy-6-oxo-1-hexen-1-ylidene)bis[5-chloro-6-methoxy-, dimethyl ester [ACD/Index Name]
Dimethyl 3,3'-(6-methoxy-6-oxo-1-hexene-1,1-diyl)bis(5-chloro-6-methoxybenzoate) [ACD/IUPAC Name]
dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-chloro-6-methoxybenzoate)
Dimethyl-3,3'-(6-methoxy-6-oxo-1-hexen-1,1-diyl)bis(5-chlor-6-methoxybenzoat) [German] [ACD/IUPAC Name]
1,1-(3',3"-Dicarbomethoxy-5',5"-dichloro-4', 4"-dimethoxydiphenyl)-5-hexenoate

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

AIDS057146 [DBID]
AIDS-057146 [DBID]
NSC 695574 [DBID]
NSC695574 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 200.1±30.5 °C
Index of Refraction: 1.551
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29324.67
ACD/KOC (pH 5.5): 54856.76
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29324.67
ACD/KOC (pH 7.4): 54856.76
Polar Surface Area: 97 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 414.1±3.0 cm3

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