ChemSpider 2D Image | 4-Chloro-3,5-dimethylphenyl 6-{[1-(4-chloro-3,5-dimethylphenoxy)-1-oxo-2-propanyl]oxy}hexanoate | C25H30Cl2O5

4-Chloro-3,5-dimethylphenyl 6-{[1-(4-chloro-3,5-dimethylphenoxy)-1-oxo-2-propanyl]oxy}hexanoate

  • Molecular FormulaC25H30Cl2O5
  • Average mass481.409 Da
  • Monoisotopic mass480.147034 Da
  • ChemSpider ID28605609

More details:

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

4-Chlor-3,5-dimethylphenyl-6-{[1-(4-chlor-3,5-dimethylphenoxy)-1-oxo-2-propanyl]oxy}hexanoat [German] [ACD/IUPAC Name]
4-Chloro-3,5-dimethylphenyl 6-{[1-(4-chloro-3,5-dimethylphenoxy)-1-oxo-2-propanyl]oxy}hexanoate [ACD/IUPAC Name]
6-{[1-(4-Chloro-3,5-diméthylphénoxy)-1-oxo-2-propanyl]oxy}hexanoate de 4-chloro-3,5-diméthylphényle [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[2-(4-chloro-3,5-dimethylphenoxy)-1-methyl-2-oxoethoxy]-, 4-chloro-3,5-dimethylphenyl ester [ACD/Index Name]
6-[1-(4-CHLORO-3,5-DIMETHYL-PHENOXYCARBONYL)-ETHOXY]-HEXANOIC ACID 4-CHLORO-3,5-DIMETHYL-PHENYL ESTER
6-[1-(4-CHLORO-3,5-DIMETHYL-PHENOXYCARBONYL)ETHOXY]HEXANOIC ACID-4-CHLORO-3,5-DIMETHYL-PHENYL ESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 179.6±29.1 °C
Index of Refraction: 1.542
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 135394.75
ACD/KOC (pH 5.5): 163975.30
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 135394.75
ACD/KOC (pH 7.4): 163975.30
Polar Surface Area: 62 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 403.9±3.0 cm3

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