ChemSpider 2D Image | (7E,13E,15Z)-14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid | C16H20Br2O2

(7E,13E,15Z)-14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid

  • Molecular FormulaC16H20Br2O2
  • Average mass404.137 Da
  • Monoisotopic mass401.983002 Da
  • ChemSpider ID32772825
  • Double-bond stereo - Double-bond stereo


More details:






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

(7E,13E,15Z)-14,16-Dibrom-7,13,15-hexadecatrien-5-insäure [German] [ACD/IUPAC Name]
(7E,13E,15Z)-14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid [ACD/IUPAC Name]
7,13,15-Hexadecatrien-5-ynoic acid, 14,16-dibromo-, (7E,13E,15Z)- [ACD/Index Name]
Acide (7E,13E,15Z)-14,16-dibromo-7,13,15-hexadécatrién-5-ynoïque [French] [ACD/IUPAC Name]
(7E,13E,15Z)-14,16-Dibromohexadeca-7,13,15-trien-5-ynoic acid
70147-24-9 [RN]
HEXADECATRIEN-5-YNOIC ACID,-DIBROMO- (B713496F012)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 509.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 262.1±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 732.93
ACD/KOC (pH 5.5): 2091.19
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 11.52
ACD/KOC (pH 7.4): 32.86
Polar Surface Area: 37 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 277.6±3.0 cm3

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