ChemSpider 2D Image | 3-Chloro-4-cyanophenyl 4-(5-octyl-1,3-dioxan-2-yl)benzoate | C26H30ClNO4

3-Chloro-4-cyanophenyl 4-(5-octyl-1,3-dioxan-2-yl)benzoate

  • Molecular FormulaC26H30ClNO4
  • Average mass455.974 Da
  • Monoisotopic mass455.186340 Da
  • ChemSpider ID28701428

More details:

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

3-Chlor-4-cyanphenyl-4-(5-octyl-1,3-dioxan-2-yl)benzoat [German] [ACD/IUPAC Name]
3-Chloro-4-cyanophenyl 4-(5-octyl-1,3-dioxan-2-yl)benzoate [ACD/IUPAC Name]
4-(5-Octyl-1,3-dioxan-2-yl)benzoate de 3-chloro-4-cyanophényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(5-octyl-1,3-dioxan-2-yl)-, 3-chloro-4-cyanophenyl ester [ACD/Index Name]
89458-03-7 [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: 598.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 315.9±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 858568.50
ACD/KOC (pH 5.5): 615127.63
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 858568.50
ACD/KOC (pH 7.4): 615127.63
Polar Surface Area: 69 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

Click to predict properties on the Chemicalize site


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