ChemSpider 2D Image | 5-(4-Carboxy-3-methylbutyl)-1,5,6-trimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid | C20H32O4

5-(4-Carboxy-3-methylbutyl)-1,5,6-trimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID35014799

More details:

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

1-Naphthalenepentanoic acid, 5-carboxy-1,2,3,4,4a,5,6,7-octahydro-β,1,2,5-tetramethyl- [ACD/Index Name]
5-(4-Carboxy-3-methylbutyl)-1,5,6-trimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
5-(4-Carboxy-3-methylbutyl)-1,5,6-trimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
Acide 5-(4-carboxy-3-méthylbutyl)-1,5,6-triméthyl-1,2,3,5,6,7,8,8a-octahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
5-(4-carboxy-3-methylbutyl)-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
ent-1(10)-Halimene-15,19-dioic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 268.5±20.5 °C
Index of Refraction: 1.526
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 103.35
ACD/KOC (pH 5.5): 324.20
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

Click to predict properties on the Chemicalize site


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