ChemSpider 2D Image | 3,4-Dimethyl-5-pentyl-2-furanheptanoic acid | C18H30O3

3,4-Dimethyl-5-pentyl-2-furanheptanoic acid

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID23255369

More details:

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

2-Furanheptanoic acid, 3,4-dimethyl-5-pentyl- [ACD/Index Name]
3,4-Dimethyl-5-pentyl-2-furanheptanoic acid
7-(3,4-Dimethyl-5-pentyl-2-furyl)heptanoic acid [ACD/IUPAC Name]
7-(3,4-Dimethyl-5-pentyl-2-furyl)heptansäure [German] [ACD/IUPAC Name]
7-(3,4-dimethyl-5-pentylfuran-2-yl)heptanoic acid
92745-17-0 [RN]
Acide 7-(3,4-diméthyl-5-pentyl-2-furyl)heptanoïque [French] [ACD/IUPAC Name]
7-(3,4-dimethyl-5-pentylfuran-2-yl)-heptanoic acid
7-(5-pentyl-3,4-dimethylfuran-2-yl)-heptanoic acid
7D5
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 430.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.3±25.4 °C
Index of Refraction: 1.490
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 2348.85
ACD/KOC (pH 5.5): 5326.76
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 37.63
ACD/KOC (pH 7.4): 85.33
Polar Surface Area: 50 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 297.1±3.0 cm3

Click to predict properties on the Chemicalize site


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