ChemSpider 2D Image | 12(S)-hydroxy-16-Heptadecynoic Acid | C16H28O3

12(S)-hydroxy-16-Heptadecynoic Acid

  • Molecular FormulaC16H28O3
  • Average mass268.392 Da
  • Monoisotopic mass268.203857 Da
  • ChemSpider ID29365506
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(12S)-12-Hydroxy-15-hexadecinsäure [German] [ACD/IUPAC Name]
(12S)-12-Hydroxy-15-hexadecynoic acid [ACD/IUPAC Name]
12(S)-hydroxy-16-Heptadecynoic Acid
148019-74-3 [RN]
15-Hexadecynoic acid, 12-hydroxy-, (12S)- [ACD/Index Name]
Acide (12S)-12-hydroxy-15-hexadécynoïque [French] [ACD/IUPAC Name]
(12S)-12-HYDROXYHEXADEC-15-YNOIC ACID
[148019-74-3]
12(S)-HYDROXY-16-HEPTADECYNOICACID
12S-hydroxy-16-heptadecynoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 433.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 229.9±16.9 °C
Index of Refraction: 1.485
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 44.43
ACD/KOC (pH 5.5): 312.40
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.01
Polar Surface Area: 58 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

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