ChemSpider 2D Image | 2-[(2-Ethylhexyl)sulfanyl]-5-methoxyterephthalaldehyde | C17H24O3S

2-[(2-Ethylhexyl)sulfanyl]-5-methoxyterephthalaldehyde

  • Molecular FormulaC17H24O3S
  • Average mass308.436 Da
  • Monoisotopic mass308.144623 Da
  • ChemSpider ID28588961

More details:

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

1,4-Benzenedicarboxaldehyde, 2-[(2-ethylhexyl)thio]-5-methoxy- [ACD/Index Name]
2-[(2-Éthylhexyl)sulfanyl]-5-méthoxytéréphtalaldéhyde [French] [ACD/IUPAC Name]
2-[(2-Ethylhexyl)sulfanyl]-5-methoxyterephthalaldehyd [German] [ACD/IUPAC Name]
2-[(2-Ethylhexyl)sulfanyl]-5-methoxyterephthalaldehyde [ACD/IUPAC Name]
2-[(2-ETHYLHEXYL)SULFANYL]-5-METHOXYBENZENE-1,4-DICARBALDEHYDE
877668-54-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 219.2±16.7 °C
Index of Refraction: 1.532
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6250.58
ACD/KOC (pH 5.5): 18143.09
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6250.58
ACD/KOC (pH 7.4): 18143.09
Polar Surface Area: 69 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 284.1±5.0 cm3

Click to predict properties on the Chemicalize site


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