- InChI
- InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,13H,6,9-11H2,1-4H3/b7-5-
- InChI Key
- MYGZJMACIRJNPL-ALCCZGGFSA-N
- Formula
- C14H24O2
- SMILES
- CC=CC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 224.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -474.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| I | [1833.00; 1833.00] |
|
|
| I | 1833.00 | NIST | |
| I | 1833.00 | NIST | |
| Tboil | 531.91 | K | Relay (1.0) Calculated Property |
| Tc | 715.75 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.76; 616.10] | J/mol×K | [603.77; 789.85] |
|
| Cp,gas | 527.76 | J/mol×K | 603.77 | Joback Calculated Property |
| Cp,gas | 544.41 | J/mol×K | 634.78 | Joback Calculated Property |
| Cp,gas | 560.24 | J/mol×K | 665.80 | Joback Calculated Property |
| Cp,gas | 575.29 | J/mol×K | 696.81 | Joback Calculated Property |
| Cp,gas | 589.60 | J/mol×K | 727.82 | Joback Calculated Property |
| Cp,gas | 603.19 | J/mol×K | 758.84 | Joback Calculated Property |
| Cp,gas | 616.10 | J/mol×K | 789.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl isocrotonate.
Sources
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