- InChI
- InChI=1S/C14H20O2/c1-5-12(6-2)14(15)16-13-9-7-8-10(3)11(13)4/h7-9,12H,5-6H2,1-4H3
- InChI Key
- FUPUKKPGHSHCBB-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCC(CC)C(=O)Oc1cccc(C)c1C
- Molecular Weight1
- 220.31
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6111 | Relay (1.0) Calculated Property | |
| ΔfusH° | 26.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | [1587.00; 1587.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Tboil | 537.89 | K | Relay (1.0) Calculated Property |
| Tc | 770.28 | K | Relay (1.0) Calculated Property |
| Tfus | 284.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [488.33; 574.33] | J/mol×K | [614.34; 817.90] |
|
| Cp,gas | 488.33 | J/mol×K | 614.34 | Joback Calculated Property |
| Cp,gas | 504.91 | J/mol×K | 648.27 | Joback Calculated Property |
| Cp,gas | 520.57 | J/mol×K | 682.19 | Joback Calculated Property |
| Cp,gas | 535.32 | J/mol×K | 716.12 | Joback Calculated Property |
| Cp,gas | 549.19 | J/mol×K | 750.05 | Joback Calculated Property |
| Cp,gas | 562.18 | J/mol×K | 783.98 | Joback Calculated Property |
| Cp,gas | 574.33 | J/mol×K | 817.90 | Joback Calculated Property |
| η | [0.0001240; 0.0021535] | Pa×s | [326.33; 614.34] |
|
| η | 0.0021535 | Pa×s | 326.33 | Joback Calculated Property |
| η | 0.0009863 | Pa×s | 374.33 | Joback Calculated Property |
| η | 0.0005395 | Pa×s | 422.33 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 470.34 | Joback Calculated Property |
| η | 0.0002257 | Pa×s | 518.34 | Joback Calculated Property |
| η | 0.0001631 | Pa×s | 566.34 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 614.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2,3-dimethylphenyl ester.
Sources
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