- InChI
- InChI=1S/C9H18O2/c1-6-7(2)11-8(10)9(3,4)5/h7H,6H2,1-5H3
- InChI Key
- DTXXVVZDBVWESG-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCC(C)OC(=O)C(C)(C)C
- Molecular Weight1
- 158.24
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -587.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Inp | [904.00; 904.00] |
|
|
| Inp | 904.00 | NIST | |
| Inp | 904.00 | NIST | |
| I | 1044.00 | NIST | |
| Tboil | 415.56 | K | Relay (1.0) Calculated Property |
| Tfus | 190.26 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [319.61; 399.92] | J/mol×K | [460.07; 645.09] |
|
| Cp,gas | 319.61 | J/mol×K | 460.07 | Joback Calculated Property |
| Cp,gas | 334.76 | J/mol×K | 490.91 | Joback Calculated Property |
| Cp,gas | 349.18 | J/mol×K | 521.74 | Joback Calculated Property |
| Cp,gas | 362.88 | J/mol×K | 552.58 | Joback Calculated Property |
| Cp,gas | 375.89 | J/mol×K | 583.42 | Joback Calculated Property |
| Cp,gas | 388.23 | J/mol×K | 614.25 | Joback Calculated Property |
| Cp,gas | 399.92 | J/mol×K | 645.09 | Joback Calculated Property |
| η | [0.0002171; 0.0159328] | Pa×s | [220.94; 460.07] |
|
| η | 0.0159328 | Pa×s | 220.94 | Joback Calculated Property |
| η | 0.0045059 | Pa×s | 260.79 | Joback Calculated Property |
| η | 0.0017811 | Pa×s | 300.65 | Joback Calculated Property |
| η | 0.0008749 | Pa×s | 340.50 | Joback Calculated Property |
| η | 0.0004988 | Pa×s | 380.36 | Joback Calculated Property |
| η | 0.0003164 | Pa×s | 420.21 | Joback Calculated Property |
| η | 0.0002171 | Pa×s | 460.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl, 1-methylpropyl 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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