ChemSpider 2D Image | Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate | C10H18O3S

Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID26519237

More details:






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

2X1&1&VS2VO1 [WLN]
3-[(2,2-Dimethyl-1-oxobutyl)thio]propanoic acid methyl ester
3-[(2,2-Dimethyl-1-oxobutyl)thio]propionic acid methyl ester
3-[(2,2-Diméthylbutanoyl)sulfanyl]propanoate de méthyle [French] [ACD/IUPAC Name]
938063-63-9 [RN]
Methyl 3-[(2,2-dimethylbutanoyl)sulfanyl]propanoate [ACD/IUPAC Name]
Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate [ACD/IUPAC Name]
Methyl-3-[(2,2-dimethylbutanoyl)sulfanyl]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[(2,2-dimethyl-1-oxobutyl)thio]-, methyl ester [ACD/Index Name]
[938063-63-9]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 280.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 118.8±10.6 °C
Index of Refraction: 1.470
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.43
ACD/KOC (pH 5.5): 716.58
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.43
ACD/KOC (pH 7.4): 716.58
Polar Surface Area: 69 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 208.2±3.0 cm3

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