ChemSpider 2D Image | 2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl propionate | C13H22O2

2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl propionate

  • Molecular FormulaC13H22O2
  • Average mass210.313 Da
  • Monoisotopic mass210.161987 Da
  • ChemSpider ID34983952

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl propionate [ACD/IUPAC Name]
2-[(1R)-4-Methyl-3-cyclohexen-1-yl]-2-propanylpropionat [German] [ACD/IUPAC Name]
3-Cyclohexene-1-methanol, α,α,4-trimethyl-, propanoate, (1R)- [ACD/Index Name]
Propionate de 2-[(1R)-4-méthyl-3-cyclohexén-1-yl]-2-propanyle [French] [ACD/IUPAC Name]
(1-methyl-4-propan-2-ylidenecyclohexyl) propanoate
(1-methyl-4-propan-2-ylidene-cyclohexyl) propanoate
(4-isopropylidene-1-methyl-cyclohexyl) propanoate
1-methyl-4-(1-methylethylidene)cyclohexyl propionate
201-266-2 [EINECS]
263-530-3 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 258.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 86.3±17.1 °C
Index of Refraction: 1.467
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 923.52
ACD/KOC (pH 5.5): 4616.02
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 923.52
ACD/KOC (pH 7.4): 4616.02
Polar Surface Area: 26 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

Click to predict properties on the Chemicalize site


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