ChemSpider 2D Image | ETHYL GUAIAZULENE SULFONATE | C17H22O3S

ETHYL GUAIAZULENE SULFONATE

  • Molecular FormulaC17H22O3S
  • Average mass306.420 Da
  • Monoisotopic mass306.128967 Da
  • ChemSpider ID32698884

More details:

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

1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-, ethyl ester [ACD/Index Name]
5-Isopropyl-3,8-diméthyl-1-azulènesulfonate d'éthyle [French] [ACD/IUPAC Name]
6223-36-5 [RN]
Ethyl 3,8-dimethyl-5-(1-methylethyl)-1-azulenesulfonate
Ethyl 5-isopropyl-3,8-dimethyl-1-azulenesulfonate [ACD/IUPAC Name]
ETHYL GUAIAZULENE SULFONATE
Ethyl-5-isopropyl-3,8-dimethyl-1-azulensulfonat [German] [ACD/IUPAC Name]

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

14E9ARC8U7 [DBID]
UNII:14E9ARC8U7 [DBID]
UNII-14E9ARC8U7 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 449.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 225.8±22.9 °C
Index of Refraction: 1.557
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 811.25
ACD/KOC (pH 5.5): 4207.02
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 811.25
ACD/KOC (pH 7.4): 4207.02
Polar Surface Area: 52 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 270.8±3.0 cm3

Click to predict properties on the Chemicalize site


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