Found 96 results

Search term: MF = 'C_{23}H_{25}NO_{2}S_{2}'
ChemSpider 2D Image | 4-(5-Pentyl-1,3-dithian-2-yl)phenyl 4-cyanobenzoate | C23H25NO2S2

4-(5-Pentyl-1,3-dithian-2-yl)phenyl 4-cyanobenzoate

  • Molecular FormulaC23H25NO2S2
  • Average mass411.580 Da
  • Monoisotopic mass411.132660 Da
  • ChemSpider ID57510752

More details:

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

4-(5-Pentyl-1,3-dithian-2-yl)phenyl 4-cyanobenzoate [ACD/IUPAC Name]
4-(5-Pentyl-1,3-dithian-2-yl)phenyl-4-cyanbenzoat [German] [ACD/IUPAC Name]
4-Cyanobenzoate de 4-(5-pentyl-1,3-dithian-2-yl)phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-cyano-, 4-(5-pentyl-1,3-dithian-2-yl)phenyl ester [ACD/Index Name]
86570-95-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 137665.75
ACD/KOC (pH 5.5): 165939.30
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 137665.75
ACD/KOC (pH 7.4): 165939.30
Polar Surface Area: 101 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 335.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement