ChemSpider 2D Image | 3-Oxo-1-phenyl-2,6,9,12,15,18-hexaoxahenicosan-21-oic acid | C21H32O9

3-Oxo-1-phenyl-2,6,9,12,15,18-hexaoxahenicosan-21-oic acid

  • Molecular FormulaC21H32O9
  • Average mass428.473 Da
  • Monoisotopic mass428.204620 Da
  • ChemSpider ID59756067

More details:

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

3-Oxo-1-phenyl-2,6,9,12,15,18-hexaoxahenicosan-21-oic acid [ACD/IUPAC Name]
3-Oxo-1-phenyl-2,6,9,12,15,18-hexaoxahenicosan-21-säure [German] [ACD/IUPAC Name]
4,7,10,13,16-Pentaoxanonadecane-1,19-dioic acid, mono(phenylmethyl) ester [ACD/Index Name]
Acide 3-oxo-1-phényl-2,6,9,12,15,18-hexaoxahénicosan-21-oïque [French] [ACD/IUPAC Name]
1263044-85-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.501
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): -2.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

Click to predict properties on the Chemicalize site


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