ChemSpider 2D Image | (3R)-3,7-Dimethyl-6-octen-1-yl propionate | C13H24O2

(3R)-3,7-Dimethyl-6-octen-1-yl propionate

  • Molecular FormulaC13H24O2
  • Average mass212.329 Da
  • Monoisotopic mass212.177628 Da
  • ChemSpider ID34987727
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3,7-Dimethyl-6-octen-1-yl propionate [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-6-octen-1-ylpropionat [German] [ACD/IUPAC Name]
6-Octen-1-ol, 3,7-dimethyl-, propanoate, (3R)- [ACD/Index Name]
Propionate de (3R)-3,7-diméthyl-6-octén-1-yle [French] [ACD/IUPAC Name]
141-14-0 [RN]
205-461-3 [EINECS]
Citronellyl propionate
UNII-87R1092U7J

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

Density: 0.9±0.1 g/cm3
Boiling Point: 276.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 90.8±19.9 °C
Index of Refraction: 1.444
Molar Refractivity: 63.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1204.06
ACD/KOC (pH 5.5): 5581.20
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1204.06
ACD/KOC (pH 7.4): 5581.20
Polar Surface Area: 26 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 240.4±3.0 cm3

Click to predict properties on the Chemicalize site






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