ChemSpider 2D Image | 3-(3-tert-butylphenyl)propanal | C13H18O

3-(3-tert-butylphenyl)propanal

  • Molecular FormulaC13H18O
  • Average mass190.281 Da
  • Monoisotopic mass190.135757 Da
  • ChemSpider ID23077691

More details:






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

3-(3-tert-butylphenyl)propanal
3-[3-(2-Methyl-2-propanyl)phenyl]propanal [German] [ACD/IUPAC Name]
3-[3-(2-Methyl-2-propanyl)phenyl]propanal [ACD/IUPAC Name]
3-[3-(2-Méthyl-2-propanyl)phényl]propanal [French] [ACD/IUPAC Name]
Benzenepropanal, 3-(1,1-dimethylethyl)- [ACD/Index Name]
1023288-21-2 [RN]
3-(3-tert-butylphenyl)propionaldehyde
3-(3'-Tert-butylphenyl)propionaldehyde
Benzenepropanal,3-(1,1-dimethylethyl)-
MFCD13184647

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

Density: 0.9±0.1 g/cm3
Boiling Point: 257.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 108.7±10.2 °C
Index of Refraction: 1.494
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 500.24
ACD/KOC (pH 5.5): 2976.30
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 500.24
ACD/KOC (pH 7.4): 2976.30
Polar Surface Area: 17 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 202.8±3.0 cm3

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