ChemSpider 2D Image | 1-[(3-Methylphenyl)sulfanyl]-3,3-dipropylcyclobutanecarboxylic acid | C18H26O2S

1-[(3-Methylphenyl)sulfanyl]-3,3-dipropylcyclobutanecarboxylic acid

  • Molecular FormulaC18H26O2S
  • Average mass306.463 Da
  • Monoisotopic mass306.165344 Da
  • ChemSpider ID71485002

More details:

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

1-[(3-Methylphenyl)sulfanyl]-3,3-dipropylcyclobutancarbonsäure [German] [ACD/IUPAC Name]
1-[(3-Methylphenyl)sulfanyl]-3,3-dipropylcyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide 1-[(3-méthylphényl)sulfanyl]-3,3-dipropylcyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 1-[(3-methylphenyl)thio]-3,3-dipropyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 217.5±24.0 °C
Index of Refraction: 1.564
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 318.25
ACD/KOC (pH 5.5): 726.08
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 15.18
Polar Surface Area: 63 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 276.7±5.0 cm3

Click to predict properties on the Chemicalize site


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