ChemSpider 2D Image | (1S)-(1-~2~H_1_)Octyl acetate | C10H19DO2

(1S)-(1-2H1)Octyl acetate

  • Molecular FormulaC10H19DO2
  • Average mass173.271 Da
  • Monoisotopic mass173.152603 Da
  • ChemSpider ID8416765
  • Non-standard isotope - Non-standard isotope


More details:






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

(1S)-(1-2H1)Octyl acetate [ACD/IUPAC Name]
(1S)-(1-2H1)Octyl-acetat [German] [ACD/IUPAC Name]
1-Octan-1-d-ol, acetate, (1S)- [ACD/Index Name]
Acétate de (1S)-(1-2H1)octyle [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 210.3±3.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 86.1±0.0 °C
Index of Refraction: 1.423
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 487.50
ACD/KOC (pH 5.5): 2921.84
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 487.50
ACD/KOC (pH 7.4): 2921.84
Polar Surface Area: 26 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 197.1±3.0 cm3

Click to predict properties on the Chemicalize site






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