ChemSpider 2D Image | 6-{[2-(~2~H_5_)Ethylhexyl]oxy}-6-oxohexanoic acid | C14H21D5O4

6-{[2-(2H5)Ethylhexyl]oxy}-6-oxohexanoic acid

  • Molecular FormulaC14H21D5O4
  • Average mass263.385 Da
  • Monoisotopic mass263.214508 Da
  • ChemSpider ID8259677

  • Non-standard isotope - Non-standard isotope

More details:

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

6-{[2-(2H5)Ethylhexyl]oxy}-6-oxohexanoic acid [ACD/IUPAC Name]
6-{[2-(2H5)Ethylhexyl]oxy}-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide 6-{[2-(2H5)éthylhexyl]oxy}-6-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanedioic acid, mono[2-(ethyl-d5)hexyl] ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 370.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 127.8±13.9 °C
Index of Refraction: 1.456
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 59.91
ACD/KOC (pH 5.5): 367.13
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.80
Polar Surface Area: 64 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

Click to predict properties on the Chemicalize site


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