ChemSpider 2D Image | Bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propyl} 2,2'-sulfanediyldiacetate | C38H58O6S

Bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propyl} 2,2'-sulfanediyldiacetate

  • Molecular FormulaC38H58O6S
  • Average mass642.929 Da
  • Monoisotopic mass642.395386 Da
  • ChemSpider ID3132680

More details:

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

2,2'-Sulfanediyldiacétate de bis{3-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propyle} [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-thiobis-, bis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]propyl] ester [ACD/Index Name]
Bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propyl} 2,2'-sulfanediyldiacetate [ACD/IUPAC Name]
Bis{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propyl}-2,2'-sulfandiyldiacetat [German] [ACD/IUPAC Name]

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

CDS1_002512 [DBID]
ChemDiv1_018768 [DBID]
DivK1c_003552 [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: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.92
ACD/LogD (pH 5.5): 10.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 599.5±3.0 cm3

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