- InChI
- InChI=1S/C14H28O2/c1-7-12(8-2)13(15)16-10-11(3)9-14(4,5)6/h11-12H,7-10H2,1-6H3
- InChI Key
- WLQKSHVRTDKBAH-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCC(CC)C(=O)OCC(C)CC(C)(C)C
- Molecular Weight1
- 228.38
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 | 0.5925 | Relay (1.0) Calculated Property | |
| ΔfG° | -168.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.20 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.038 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | 1320.00 | NIST | |
| Tboil | 506.32 | K | Relay (1.0) Calculated Property |
| Tc | 688.68 | K | Relay (1.0) Calculated Property |
| Tfus | 217.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, 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 | [570.41; 667.79] | J/mol×K | [591.90; 773.91] | 
|
| Cp,gas | 570.41 | J/mol×K | 591.90 | Joback Calculated Property |
| Cp,gas | 588.77 | J/mol×K | 622.23 | Joback Calculated Property |
| Cp,gas | 606.24 | J/mol×K | 652.57 | Joback Calculated Property |
| Cp,gas | 622.85 | J/mol×K | 682.90 | Joback Calculated Property |
| Cp,gas | 638.63 | J/mol×K | 713.24 | Joback Calculated Property |
| Cp,gas | 653.60 | J/mol×K | 743.57 | Joback Calculated Property |
| Cp,gas | 667.79 | J/mol×K | 773.91 | Joback Calculated Property |
| η | [0.0001200; 0.0066207] | Pa×s | [292.12; 591.90] |
|
| η | 0.0066207 | Pa×s | 292.12 | Joback Calculated Property |
| η | 0.0020827 | Pa×s | 342.08 | Joback Calculated Property |
| η | 0.0008798 | Pa×s | 392.05 | Joback Calculated Property |
| η | 0.0004516 | Pa×s | 442.01 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 491.97 | Joback Calculated Property |
| η | 0.0001721 | Pa×s | 541.94 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 591.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2,4,4-trimethylpentyl ester.
Sources
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