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Search term: ADDOHPXVDGIFBO-UHFFFAOYAQ (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Isopropylphenyl thiocyanate | C10H11NS

4-Isopropylphenyl thiocyanate

  • Molecular FormulaC10H11NS
  • Average mass177.266 Da
  • Monoisotopic mass177.061218 Da
  • ChemSpider ID74405936

More details:

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

4-Isopropylphenyl thiocyanate [ACD/IUPAC Name]
4-Isopropylphenylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 4-isopropylphényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 4-(1-methylethyl)phenyl ester [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: 265.0±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 114.1±21.5 °C
Index of Refraction: 1.563
Molar Refractivity: 53.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.72
ACD/KOC (pH 5.5): 1581.12
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.72
ACD/KOC (pH 7.4): 1581.12
Polar Surface Area: 49 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 163.9±5.0 cm3

Click to predict properties on the Chemicalize site


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