Found 163 results

Search term: MF = 'C_{13}H_{26}O_{2}S'
ChemSpider 2D Image | 2-(Methylsulfanyl)dodecanoic acid | C13H26O2S

2-(Methylsulfanyl)dodecanoic acid

  • Molecular FormulaC13H26O2S
  • Average mass246.409 Da
  • Monoisotopic mass246.165344 Da
  • ChemSpider ID57505991

More details:

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

2-(Methylsulfanyl)dodecanoic acid [ACD/IUPAC Name]
2-(Methylsulfanyl)dodecansäure [German] [ACD/IUPAC Name]
Acide 2-(méthylsulfanyl)dodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic acid, 2-(methylthio)- [ACD/Index Name]
2-methylsulfanyldodecanoic acid
72324-91-5 [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: 353.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.8±6.0 kJ/mol
Flash Point: 167.8±23.2 °C
Index of Refraction: 1.481
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 69.97
ACD/KOC (pH 5.5): 213.77
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 63 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 252.1±3.0 cm3

Click to predict properties on the Chemicalize site


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