ChemSpider 2D Image | 2-(Hydroxymethyl)-9-methoxy-4-methyl-3-benzoxepine-1-carbaldehyde | C14H14O4

2-(Hydroxymethyl)-9-methoxy-4-methyl-3-benzoxepine-1-carbaldehyde

  • Molecular FormulaC14H14O4
  • Average mass246.259 Da
  • Monoisotopic mass246.089203 Da
  • ChemSpider ID73952351

More details:

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

2-(Hydroxymethyl)-9-methoxy-4-methyl-3-benzoxepin-1-carbaldehyd [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-9-methoxy-4-methyl-3-benzoxepine-1-carbaldehyde [ACD/IUPAC Name]
2-(Hydroxyméthyl)-9-méthoxy-4-méthyl-3-benzoxépine-1-carbaldéhyde [French] [ACD/IUPAC Name]
3-Benzoxepin-1-carboxaldehyde, 2-(hydroxymethyl)-9-methoxy-4-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 185.8±22.2 °C
Index of Refraction: 1.616
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.78
ACD/KOC (pH 5.5): 294.72
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.78
ACD/KOC (pH 7.4): 294.72
Polar Surface Area: 56 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 194.8±3.0 cm3

Click to predict properties on the Chemicalize site


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