ChemSpider 2D Image | 3,7-Bis(2,3,5-trimethyl-2-hexanyl)-1-naphthalenesulfonic acid | C28H44O3S

3,7-Bis(2,3,5-trimethyl-2-hexanyl)-1-naphthalenesulfonic acid

  • Molecular FormulaC28H44O3S
  • Average mass460.712 Da
  • Monoisotopic mass460.301117 Da
  • ChemSpider ID28582540

More details:

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

1-Naphthalenesulfonic acid, 3,7-bis(1,1,2,4-tetramethylpentyl)- [ACD/Index Name]
3,7-Bis(2,3,5-trimethyl-2-hexanyl)-1-naphthalenesulfonic acid [ACD/IUPAC Name]
3,7-Bis(2,3,5-trimethyl-2-hexanyl)-1-naphthalinsulfonsäure [German] [ACD/IUPAC Name]
Acide 3,7-bis(2,3,5-triméthyl-2-hexanyl)-1-naphtalènesulfonique [French] [ACD/IUPAC Name]
3,7-Bis(2,3,5-trimethylhexan-2-yl)naphthalene-1-sulfonic acid
648903-02-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.65
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 219.73
ACD/KOC (pH 5.5): 168.28
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 214.79
ACD/KOC (pH 7.4): 164.50
Polar Surface Area: 63 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 446.3±3.0 cm3

Click to predict properties on the Chemicalize site


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