ChemSpider 2D Image | 4-(1-Adamantyl)phenol | C16H20O

4-(1-Adamantyl)phenol

  • Molecular FormulaC16H20O
  • Average mass228.329 Da
  • Monoisotopic mass228.151413 Da
  • ChemSpider ID21170934

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

29799-07-3 [RN]
4-(1-Adamantyl)phenol
4-[(3s,5s,7s)-Adamantan-1-yl]phenol [German] [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-yl]phenol [ACD/IUPAC Name]
4-[(3s,5s,7s)-Adamantan-1-yl]phénol [French] [ACD/IUPAC Name]
MFCD00168143 [MDL number]
Phenol, 4-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
[29799-07-3] [RN]
4-(1-adamantyl)-phenol
QA-9511

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

393479_ALDRICH [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 361.6±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 190.3±11.5 °C
Index of Refraction: 1.612
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1377.29
ACD/KOC (pH 5.5): 6144.82
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1374.02
ACD/KOC (pH 7.4): 6130.24
Polar Surface Area: 20 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 196.8±3.0 cm3

Click to predict properties on the Chemicalize site


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