ChemSpider 2D Image | cis-9,10-methylenehexadecanoic acid | C17H32O2

cis-9,10-methylenehexadecanoic acid

  • Molecular FormulaC17H32O2
  • Average mass268.435 Da
  • Monoisotopic mass268.240234 Da
  • ChemSpider ID29366733

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4675-60-9 [RN]
8-[(1R,2S)-2-Hexylcyclopropyl]octanoic acid [ACD/IUPAC Name]
8-[(1R,2S)-2-Hexylcyclopropyl]octansäure [German] [ACD/IUPAC Name]
Acide 8-[(1R,2S)-2-hexylcyclopropyl]octanoïque [French] [ACD/IUPAC Name]
cis-9,10-methylenehexadecanoic acid
Cyclopropaneoctanoic acid, 2-hexyl-, (1R,2S)- [ACD/Index Name]
8-(Cis-2-hexylcyclopropyl)octanoic acid
9R,10S-methylene-hexadecanoic acid
cis-9,10-methylene-hexadecanoic acid
CIS-9,10-METHYLENEHEXADECANOICACID

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

Density: 0.9±0.1 g/cm3
Boiling Point: 379.3±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 170.6±10.3 °C
Index of Refraction: 1.470
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 6806.25
ACD/KOC (pH 5.5): 11451.34
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 109.18
ACD/KOC (pH 7.4): 183.70
Polar Surface Area: 37 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

Click to predict properties on the Chemicalize site


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