ChemSpider 2D Image | (3S,8Z)-3-Phenyl-1-oxa-4-azacyclododec-8-ene-2,5-dione | C16H19NO3

(3S,8Z)-3-Phenyl-1-oxa-4-azacyclododec-8-ene-2,5-dione

  • Molecular FormulaC16H19NO3
  • Average mass273.327 Da
  • Monoisotopic mass273.136505 Da
  • ChemSpider ID30660571

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,8Z)-3-Phenyl-1-oxa-4-azacyclododec-8-en-2,5-dion [German] [ACD/IUPAC Name]
(3S,8Z)-3-Phenyl-1-oxa-4-azacyclododec-8-ene-2,5-dione [ACD/IUPAC Name]
(3S,8Z)-3-Phényl-1-oxa-4-azacyclododéc-8-ène-2,5-dione [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclododec-8-ene-2,5-dione, 3-phenyl-, (3S,8Z)- [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: 540.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.59
ACD/KOC (pH 5.5): 282.00
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.59
ACD/KOC (pH 7.4): 282.00
Polar Surface Area: 55 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 250.4±3.0 cm3

Click to predict properties on the Chemicalize site


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