- InChI
- InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10-
- InChI Key
- RKDOXCGYGLYOBV-OCBXPSTGSA-N
- Formula
- C13H22O2
- SMILES
- CCCCCC=CC=CC(=O)OCCC
- Molecular Weight1
- 210.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -456.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.632 | Crippen Calculated Property | |
| McVol | 192.870 | ml/mol | McGowan Calculated Property |
| Pc | 1864.33 | kPa | Joback Calculated Property |
| I | [1859.00; 1859.00] |
|
|
| I | 1859.00 | NIST | |
| I | 1859.00 | NIST | |
| Tboil | 513.95 | K | Relay (1.0) Calculated Property |
| Tc | 695.93 | K | Relay (1.0) Calculated Property |
| Tfus | 279.35 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [476.55; 559.41] | J/mol×K | [581.45; 763.24] |
|
| Cp,gas | 476.55 | J/mol×K | 581.45 | Joback Calculated Property |
| Cp,gas | 492.11 | J/mol×K | 611.75 | Joback Calculated Property |
| Cp,gas | 506.92 | J/mol×K | 642.05 | Joback Calculated Property |
| Cp,gas | 521.03 | J/mol×K | 672.35 | Joback Calculated Property |
| Cp,gas | 534.46 | J/mol×K | 702.64 | Joback Calculated Property |
| Cp,gas | 547.24 | J/mol×K | 732.94 | Joback Calculated Property |
| Cp,gas | 559.41 | J/mol×K | 763.24 | Joback Calculated Property |
| η | [0.0001236; 0.0025562] | Pa×s | [298.27; 581.45] |
|
| η | 0.0025562 | Pa×s | 298.27 | Joback Calculated Property |
| η | 0.0010928 | Pa×s | 345.47 | Joback Calculated Property |
| η | 0.0005731 | Pa×s | 392.66 | Joback Calculated Property |
| η | 0.0003452 | Pa×s | 439.86 | Joback Calculated Property |
| η | 0.0002294 | Pa×s | 487.06 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 534.25 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 581.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl (Z)-2,(E)-4-decadienoate.
Sources
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