ChemSpider 2D Image | Tetrahydro-2H-pyran-2-ylmethyl 3-chloro-4-ethoxy-5-methoxybenzoate | C16H21ClO5

Tetrahydro-2H-pyran-2-ylmethyl 3-chloro-4-ethoxy-5-methoxybenzoate

  • Molecular FormulaC16H21ClO5
  • Average mass328.788 Da
  • Monoisotopic mass328.107758 Da
  • ChemSpider ID31175133

More details:

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

3-Chloro-4-éthoxy-5-méthoxybenzoate de tétrahydro-2H-pyran-2-ylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4-ethoxy-5-methoxy-, (tetrahydro-2H-pyran-2-yl)methyl ester [ACD/Index Name]
Tetrahydro-2H-pyran-2-ylmethyl 3-chloro-4-ethoxy-5-methoxybenzoate [ACD/IUPAC Name]
Tetrahydro-2H-pyran-2-ylmethyl-3-chlor-4-ethoxy-5-methoxybenzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 446.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 167.5±26.3 °C
Index of Refraction: 1.515
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.12
ACD/KOC (pH 5.5): 2366.40
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 363.12
ACD/KOC (pH 7.4): 2366.40
Polar Surface Area: 54 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 277.3±3.0 cm3

Click to predict properties on the Chemicalize site


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