ChemSpider 2D Image | 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(4-methylbenzenesulfonate) | C26H30O9S3

1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(4-methylbenzenesulfonate)

  • Molecular FormulaC26H30O9S3
  • Average mass582.706 Da
  • Monoisotopic mass582.105164 Da
  • ChemSpider ID489301

More details:

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

1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(4-methylbenzenesulfonate)
1,3-Propanediol, 2-methyl-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, bis(4-methylbenzenesulfonate) [ACD/Index Name]
2-Methyl-3-([(4-methylphenyl)sulfonyl]oxy)-2-(([(4-methylphenyl)sulfonyl]oxy)methyl)propyl 4-methylbenzenesulfonate
2-Methyl-3-{[(4-methylphenyl)sulfonyl]oxy}-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
2-Methyl-3-{[(4-methylphenyl)sulfonyl]oxy}-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 2-méthyl-3-{[(4-méthylphényl)sulfonyl]oxy}-2-({[(4-méthylphényl)sulfonyl]oxy}méthyl)propyle [French] [ACD/IUPAC Name]
2387-43-1 [RN]
α,α,α-tris[(4-tolylsulfonyl)methyl]ethane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4702.21
ACD/KOC (pH 5.5): 14798.80
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4702.21
ACD/KOC (pH 7.4): 14798.80
Polar Surface Area: 155 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 437.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement