ChemSpider 2D Image | 2-Propyn-1-yl (2E,4Z)-3,7,11-trimethyl-2,4-dodecadienoate | C18H28O2

2-Propyn-1-yl (2E,4Z)-3,7,11-trimethyl-2,4-dodecadienoate

  • Molecular FormulaC18H28O2
  • Average mass276.414 Da
  • Monoisotopic mass276.208923 Da
  • ChemSpider ID95797729

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z)-3,7,11-Triméthyl-2,4-dodécadiénoate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
2,4-Dodecadienoic acid, 3,7,11-trimethyl-, 2-propyn-1-yl ester, (2E,4Z)- [ACD/Index Name]
2-Propin-1-yl-(2E,4Z)-3,7,11-trimethyl-2,4-dodecadienoat [German] [ACD/IUPAC Name]
2-Propyn-1-yl (2E,4Z)-3,7,11-trimethyl-2,4-dodecadienoate [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 356.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 148.8±20.6 °C
Index of Refraction: 1.477
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 19069.25
ACD/KOC (pH 5.5): 40313.38
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19069.25
ACD/KOC (pH 7.4): 40313.38
Polar Surface Area: 26 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site


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