ChemSpider 2D Image | 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl (2S)-2-(2-naphthyl)butanoate | C29H36O2

4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl (2S)-2-(2-naphthyl)butanoate

  • Molecular FormulaC29H36O2
  • Average mass416.595 Da
  • Monoisotopic mass416.271515 Da
  • ChemSpider ID74154581

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Naphtyl)butanoate de 4-méthyl-2,6-bis(2-méthyl-2-propanyl)phényle [French] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, α-ethyl-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, (αS)- [ACD/Index Name]
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl (2S)-2-(2-naphthyl)butanoate [ACD/IUPAC Name]
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl-(2S)-2-(2-naphthyl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 519.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 157.7±18.8 °C
Index of Refraction: 1.559
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.25
ACD/LogD (pH 5.5): 8.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 848866.13
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 848866.13
Polar Surface Area: 26 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 405.3±3.0 cm3

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