ChemSpider 2D Image | (2R)-2-Ethyl-4-methylpentyl (2,4,5-trichlorophenoxy)acetate | C16H21Cl3O3

(2R)-2-Ethyl-4-methylpentyl (2,4,5-trichlorophenoxy)acetate

  • Molecular FormulaC16H21Cl3O3
  • Average mass367.695 Da
  • Monoisotopic mass366.055634 Da
  • ChemSpider ID34983514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2,4,5-Trichlorophénoxy)acétate de (2R)-2-éthyl-4-méthylpentyle [French] [ACD/IUPAC Name]
(2R)-2-Ethyl-4-methylpentyl (2,4,5-trichlorophenoxy)acetate [ACD/IUPAC Name]
(2R)-2-Ethyl-4-methylpentyl-(2,4,5-trichlorphenoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, (2R)-2-ethyl-4-methylpentyl ester [ACD/Index Name]
274-012-1 [EINECS]
69462-12-0 [RN]
ACETIC ACID, (2,4,5-TRICHLOROPHENOXY)-, 2-ETHYL-4-METHYLPENTYL ESTER
UNII-03HP3QF78W

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 142.4±26.3 °C
Index of Refraction: 1.514
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42309.62
ACD/KOC (pH 5.5): 71316.17
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42309.62
ACD/KOC (pH 7.4): 71316.17
Polar Surface Area: 36 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

Click to predict properties on the Chemicalize site


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