ChemSpider 2D Image | phthioceranic acid | C37H74O2

phthioceranic acid

  • Molecular FormulaC37H74O2
  • Average mass550.982 Da
  • Monoisotopic mass550.568909 Da
  • ChemSpider ID28284300

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-Heptamethyltriacontanoic acid [ACD/IUPAC Name]
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-Heptamethyltriacontansäure [German] [ACD/IUPAC Name]
Acide (2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptaméthyltriacontanoïque [French] [ACD/IUPAC Name]
phthioceranic acid
Triacontanoic acid, 2,4,6,8,10,12,14-heptamethyl-, (2S,4S,6S,8S,10S,12S,14S)- [ACD/Index Name]
2S,4S,6S,8S,10S,12S,14S-heptamethyl-triacontanoic acid
Phthioceranic acid (C37)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 625.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 216.0±13.9 °C
Index of Refraction: 1.461
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 17.02
ACD/LogD (pH 5.5): 14.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8838736.00
Polar Surface Area: 37 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 636.5±3.0 cm3

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