ChemSpider 2D Image | 3-(Tetrahydro-2H-pyran-2-yloxy)propyl 6-chloro-3-chromanecarboxylate | C18H23ClO5

3-(Tetrahydro-2H-pyran-2-yloxy)propyl 6-chloro-3-chromanecarboxylate

  • Molecular FormulaC18H23ClO5
  • Average mass354.825 Da
  • Monoisotopic mass354.123413 Da
  • ChemSpider ID65253183

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 6-chloro-3,4-dihydro-, 3-[(tetrahydro-2H-pyran-2-yl)oxy]propyl ester [ACD/Index Name]
3-(Tetrahydro-2H-pyran-2-yloxy)propyl 6-chloro-3-chromanecarboxylate [ACD/IUPAC Name]
3-(Tetrahydro-2H-pyran-2-yloxy)propyl-6-chlor-3-chromancarboxylat [German] [ACD/IUPAC Name]
6-Chloro-3-chromanecarboxylate de 3-(tétrahydro-2H-pyran-2-yloxy)propyle [French] [ACD/IUPAC 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: 495.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 184.9±27.7 °C
Index of Refraction: 1.551
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.63
ACD/KOC (pH 5.5): 2307.83
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.63
ACD/KOC (pH 7.4): 2307.83
Polar Surface Area: 54 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 282.4±5.0 cm3

Click to predict properties on the Chemicalize site


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