ChemSpider 2D Image | 2-(Isopropylsulfanyl)spiro[3.4]octane-2-carboxylic acid | C12H20O2S

2-(Isopropylsulfanyl)spiro[3.4]octane-2-carboxylic acid

  • Molecular FormulaC12H20O2S
  • Average mass228.351 Da
  • Monoisotopic mass228.118393 Da
  • ChemSpider ID48437031

More details:

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

2-(Isopropylsulfanyl)spiro[3.4]octan-2-carbonsäure [German] [ACD/IUPAC Name]
2-(Isopropylsulfanyl)spiro[3.4]octane-2-carboxylic acid [ACD/IUPAC Name]
Acide 2-(isopropylsulfanyl)spiro[3.4]octane-2-carboxylique [French] [ACD/IUPAC Name]
Spiro[3.4]octane-2-carboxylic acid, 2-[(1-methylethyl)thio]- [ACD/Index Name]
1482663-79-5 [RN]
2-(propan-2-ylsulfanyl)spiro[3.4]octane-2-carboxylic acid
MFCD21167339

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

Density: 1.1±0.1 g/cm3
Boiling Point: 369.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 177.0±23.2 °C
Index of Refraction: 1.546
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 26.32
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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