ChemSpider 2D Image | 13-HpOTrE(r) | C18H30O4

13-HpOTrE(r)

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID24608106
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6Z,9Z,11E,13S)-13-Hydroperoxy-6,9,11-octadecatrienoic acid [ACD/IUPAC Name]
(6Z,9Z,11E,13S)-13-Hydroperoxy-6,9,11-octadecatriensäure [German] [ACD/IUPAC Name]
121107-97-9 [RN]
13(S)-HpOTrE(γ)
13(S)-HpOTrE(γ)
13-HpOTrE(r)
6,9,11-Octadecatrienoic acid, 13-hydroperoxy-, (6Z,9Z,11E,13S)- [ACD/Index Name]
Acide (6Z,9Z,11E,13S)-13-hydroperoxy-6,9,11-octadécatriénoïque [French] [ACD/IUPAC Name]
(6Z,9Z,11E,13S)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
[121107-97-9]
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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: 469.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 160.2±22.2 °C
Index of Refraction: 1.504
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 998.27
ACD/KOC (pH 5.5): 2837.69
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 15.90
ACD/KOC (pH 7.4): 45.19
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

Click to predict properties on the Chemicalize site






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