ChemSpider 2D Image | 3-Thietanecarbaldehyde | C4H6OS

3-Thietanecarbaldehyde

  • Molecular FormulaC4H6OS
  • Average mass102.155 Da
  • Monoisotopic mass102.013931 Da
  • ChemSpider ID37487809

More details:

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

3-Thietancarbaldehyd [German] [ACD/IUPAC Name]
3-Thietanecarbaldehyde [ACD/IUPAC Name]
3-Thiétanecarbaldéhyde [French] [ACD/IUPAC Name]
3-Thietanecarboxaldehyde [ACD/Index Name]
87373-79-3 [RN]
MFCD24680518
thietane-3-carbaldehyde

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

Density: 1.3±0.1 g/cm3
Boiling Point: 177.1±33.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.3±3.0 kJ/mol
Flash Point: 77.1±11.1 °C
Index of Refraction: 1.665
Molar Refractivity: 28.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 51.95
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.95
Polar Surface Area: 42 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 77.0±3.0 cm3

Click to predict properties on the Chemicalize site


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