ChemSpider 2D Image | Benzyl 3-thietanylideneacetate | C12H12O2S

Benzyl 3-thietanylideneacetate

  • Molecular FormulaC12H12O2S
  • Average mass220.288 Da
  • Monoisotopic mass220.055801 Da
  • ChemSpider ID28290418

More details:

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

1394319-40-4 [RN]
3-Thiétanylidèneacétate de benzyle [French] [ACD/IUPAC Name]
Acetic acid, 2-(3-thietanylidene)-, phenylmethyl ester [ACD/Index Name]
Benzyl 2-(thietan-3-ylidene)acetate
Benzyl 3-thietanylideneacetate [ACD/IUPAC Name]
Benzyl-3-thietanylidenacetat [German] [ACD/IUPAC Name]
MFCD22421665 [MDL number]
Benzyl2-(thietan-3-ylidene)acetate

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 352.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 171.1±14.0 °C
Index of Refraction: 1.682
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.11
ACD/KOC (pH 5.5): 947.67
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.11
ACD/KOC (pH 7.4): 947.67
Polar Surface Area: 52 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 168.4±3.0 cm3

Click to predict properties on the Chemicalize site


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