ChemSpider 2D Image | 5-(Adamantan-1-yl)-2,4-dihydroxybenzoic acid | C17H20O4

5-(Adamantan-1-yl)-2,4-dihydroxybenzoic acid

  • Molecular FormulaC17H20O4
  • Average mass288.338 Da
  • Monoisotopic mass288.136169 Da
  • ChemSpider ID21664455

More details:






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

5-(Adamantan-1-yl)-2,4-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
5-(Adamantan-1-yl)-2,4-dihydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-(adamantan-1-yl)-2,4-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-5-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
2,4-dihydroxy-5-(tricyclo[3.3.1.13,7]dec-1-yl)benzoic acid
5-(1-adamantyl)-2,4-dihydroxybenzoic acid
51049-71-9 [RN]
5-Adamantan-1-yl-2,4-dihydroxy-benzoic acid
5-adamantanyl-2,4-dihydroxybenzoic acid
Benzoic acid, 2,4-dihydroxy-5-tricyclo[3.3.1.1(3,7)]dec-1-yl-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 508.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 275.1±22.4 °C
Index of Refraction: 1.666
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 13.02
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 78 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 207.8±3.0 cm3

Click to predict properties on the Chemicalize site






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