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Search term: LICTUMJMBMBMQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,6-Dimethylheptyl hydrogen sulfate | C9H20O4S

2,6-Dimethylheptyl hydrogen sulfate

  • Molecular FormulaC9H20O4S
  • Average mass224.318 Da
  • Monoisotopic mass224.108231 Da
  • ChemSpider ID23327239

More details:

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

1-Heptanol, 2,6-dimethyl-, hydrogen sulfate [ACD/Index Name]
2,6-Dimethylheptyl hydrogen sulfate [ACD/IUPAC Name]
2,6-Dimethylheptylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 2,6-diméthylheptyle [French] [ACD/IUPAC Name]
2,6-dimethylheptylsulfate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445873/

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.462
Molar Refractivity: 55.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 202.8±3.0 cm3

Click to predict properties on the Chemicalize site


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