ChemSpider 2D Image | [2-(3-Chlorobenzyl)adamantan-2-yl]acetic acid | C19H23ClO2

[2-(3-Chlorobenzyl)adamantan-2-yl]acetic acid

  • Molecular FormulaC19H23ClO2
  • Average mass318.838 Da
  • Monoisotopic mass318.138672 Da
  • ChemSpider ID28478309

More details:

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

[2-(3-Chlorbenzyl)adamantan-2-yl]essigsäure [German] [ACD/IUPAC Name]
[2-(3-Chlorobenzyl)adamantan-2-yl]acetic acid [ACD/IUPAC Name]
Acide [2-(3-chlorobenzyl)adamantan-2-yl]acétique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-acetic acid, 2-[(3-chlorophenyl)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.0±21.2 °C
Index of Refraction: 1.584
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1325.84
ACD/KOC (pH 5.5): 3317.98
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 20.90
ACD/KOC (pH 7.4): 52.31
Polar Surface Area: 37 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 260.3±3.0 cm3

Click to predict properties on the Chemicalize site


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