ChemSpider 2D Image | 3-[(2Z)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid | C25H30O4

3-[(2Z)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid

  • Molecular FormulaC25H30O4
  • Average mass394.503 Da
  • Monoisotopic mass394.214417 Da
  • ChemSpider ID29814133

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2Z)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-(2-phenylethyl)benzoesäure [German] [ACD/IUPAC Name]
3-[(2Z)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-(2-phenylethyl)benzoic acid [ACD/IUPAC Name]
Acide 3-[(2Z)-3,7-diméthyl-2,6-octadién-1-yl]-2,4-dihydroxy-6-(2-phényléthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2Z)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-(2-phenylethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 314.4±26.6 °C
Index of Refraction: 1.598
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 486.71
ACD/KOC (pH 5.5): 456.84
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 233.90
ACD/KOC (pH 7.4): 219.55
Polar Surface Area: 78 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 344.0±3.0 cm3

Click to predict properties on the Chemicalize site


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