ChemSpider 2D Image | Dimethyl 5-[(5-chloro-2-methoxybenzyl)oxy]isophthalate | C18H17ClO6

Dimethyl 5-[(5-chloro-2-methoxybenzyl)oxy]isophthalate

  • Molecular FormulaC18H17ClO6
  • Average mass364.777 Da
  • Monoisotopic mass364.071381 Da
  • ChemSpider ID21769987

More details:






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

1,3-Benzenedicarboxylic acid, 5-[(5-chloro-2-methoxyphenyl)methoxy]-, dimethyl ester [ACD/Index Name]
5-[(5-Chloro-2-méthoxybenzyl)oxy]isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-[(5-chloro-2-methoxybenzyl)oxy]isophthalate [ACD/IUPAC Name]
Dimethyl-5-[(5-chlor-2-methoxybenzyl)oxy]isophthalat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 178.1±26.3 °C
Index of Refraction: 1.561
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1206.10
ACD/KOC (pH 5.5): 5587.96
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1206.10
ACD/KOC (pH 7.4): 5587.96
Polar Surface Area: 71 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

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