ChemSpider 2D Image | 2-(~2~H_5_)Ethyl(~2~H_12_)hexyl acetate | C10H3D17O2

2-(2H5)Ethyl(2H12)hexyl acetate

  • Molecular FormulaC10H3D17O2
  • Average mass189.369 Da
  • Monoisotopic mass189.253036 Da
  • ChemSpider ID24533121

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Hexan-1,1,2,3,3,4,4,5,5,6,6,6-d12-ol, 2-(ethyl-d5)-, acetate [ACD/Index Name]
2-(2H5)Ethyl(2H12)hexyl acetate [ACD/IUPAC Name]
2-(2H5)Ethyl(2H12)hexyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-(2H5)éthyl(2H12)hexyle [French] [ACD/IUPAC Name]
(?)-2-Ethylhexyl-d17 Acetate
(±)-2-Ethylhexyl-d17 Acetate
1219802-70-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 195.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 71.4±8.3 °C
Index of Refraction: 1.421
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 435.82
ACD/KOC (pH 5.5): 2696.63
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.82
ACD/KOC (pH 7.4): 2696.63
Polar Surface Area: 26 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 27.5±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

Click to predict properties on the Chemicalize site


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