ChemSpider 2D Image | (3E)-4-[2-(1-Hydroxyhexyl)-4-methylphenyl]-3-butenoic acid | C17H24O3

(3E)-4-[2-(1-Hydroxyhexyl)-4-methylphenyl]-3-butenoic acid

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID24659837
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-4-[2-(1-Hydroxyhexyl)-4-methylphenyl]-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-[2-(1-Hydroxyhexyl)-4-methylphenyl]-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 4-[2-(1-hydroxyhexyl)-4-methylphenyl]-, (3E)- [ACD/Index Name]
Acide (3E)-4-[2-(1-hydroxyhexyl)-4-méthylphényl]-3-buténoïque [French] [ACD/IUPAC Name]
LORNEIC ACID B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 246.2±21.9 °C
Index of Refraction: 1.563
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 31.92
ACD/KOC (pH 5.5): 173.83
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 58 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 254.9±3.0 cm3

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