ChemSpider 2D Image | (12R)-1,12-(10,10,11,11-~2~H_4_)Hexadecanediol | C16H30D4O2

(12R)-1,12-(10,10,11,11-2H4)Hexadecanediol

  • Molecular FormulaC16H30D4O2
  • Average mass262.465 Da
  • Monoisotopic mass262.280975 Da
  • ChemSpider ID9452029

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(12R)-1,12-(10,10,11,11-2H4)Hexadecandiol [German] [ACD/IUPAC Name]
(12R)-1,12-(10,10,11,11-2H4)Hexadecanediol [ACD/IUPAC Name]
(12R)-1,12-(10,10,11,11-2H4)Hexadécanediol [French] [ACD/IUPAC Name]
1,12-Hexadecane-10,10,11,11-d4-diol, (12R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 370.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 160.2±13.6 °C
Index of Refraction: 1.462
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1053.18
ACD/KOC (pH 5.5): 5071.16
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1053.18
ACD/KOC (pH 7.4): 5071.16
Polar Surface Area: 40 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 288.0±3.0 cm3

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