ChemSpider 2D Image | 4-[(3S)-3,6-Dimethyl-3-heptanyl]phenol | C15H24O

4-[(3S)-3,6-Dimethyl-3-heptanyl]phenol

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID34984981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(3S)-3,6-Dimethyl-3-heptanyl]phenol [German] [ACD/IUPAC Name]
4-[(3S)-3,6-Dimethyl-3-heptanyl]phenol [ACD/IUPAC Name]
4-[(3S)-3,6-Diméthyl-3-heptanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1S)-1-ethyl-1,4-dimethylpentyl]- [ACD/Index Name]
104-40-5 [RN]
142731-63-3 [RN]
203-199-4 [EINECS]
4-(1-ETHYL-1,4-DIMETHYLPENTYL)PHENOL
4-Nonylphenol [ACD/IUPAC Name]
UNII-510794F9KY
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 316.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 162.0±8.7 °C
Index of Refraction: 1.498
Molar Refractivity: 69.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5342.72
ACD/KOC (pH 5.5): 16215.18
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5333.03
ACD/KOC (pH 7.4): 16185.76
Polar Surface Area: 20 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 237.5±3.0 cm3

Click to predict properties on the Chemicalize site


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