- InChI
- InChI=1S/C9H18O2/c1-5-7-9(3,6-2)8(10)11-4/h5-7H2,1-4H3
- InChI Key
- JVBYMEHKMMCQBG-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCC(C)(CC)C(=O)OC
- Molecular Weight1
- 158.24
- CAS
- 37974-23-5
- Other Names
-
- Methyl «alpha»-ethyl-«alpha»-methylvalerate
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -533.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.376 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Inp | [948.00; 948.00] |
|
|
| Inp | 948.00 | NIST | |
| Inp | 948.00 | NIST | |
| Tboil | 429.89 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 | [319.52; 397.94] | J/mol×K | [460.51; 641.53] |
|
| Cp,gas | 319.52 | J/mol×K | 460.51 | Joback Calculated Property |
| Cp,gas | 334.26 | J/mol×K | 490.68 | Joback Calculated Property |
| Cp,gas | 348.30 | J/mol×K | 520.85 | Joback Calculated Property |
| Cp,gas | 361.68 | J/mol×K | 551.02 | Joback Calculated Property |
| Cp,gas | 374.40 | J/mol×K | 581.19 | Joback Calculated Property |
| Cp,gas | 386.48 | J/mol×K | 611.36 | Joback Calculated Property |
| Cp,gas | 397.94 | J/mol×K | 641.53 | Joback Calculated Property |
| η | [0.0002278; 0.0091767] | Pa×s | [235.94; 460.51] |
|
| η | 0.0091767 | Pa×s | 235.94 | Joback Calculated Property |
| η | 0.0032512 | Pa×s | 273.37 | Joback Calculated Property |
| η | 0.0014789 | Pa×s | 310.80 | Joback Calculated Property |
| η | 0.0007968 | Pa×s | 348.23 | Joback Calculated Property |
| η | 0.0004841 | Pa×s | 385.65 | Joback Calculated Property |
| η | 0.0003212 | Pa×s | 423.08 | Joback Calculated Property |
| η | 0.0002278 | Pa×s | 460.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-ethyl-2-methyl-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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