- InChI
- InChI=1S/C8H14O2/c1-4-6-7(3)10-8(9)5-2/h4,7H,1,5-6H2,2-3H3
- InChI Key
- QTJLXWLLLXXECC-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=CCC(C)OC(=O)CC
- Molecular Weight1
- 142.20
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -425.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Inp | [891.00; 929.00] |
|
|
| Inp | 902.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 902.00 | NIST | |
| I | [1196.00; 1225.00] |
|
|
| I | 1197.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1197.00 | NIST | |
| Tboil | 410.02 | 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, 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 | [258.25; 324.62] | J/mol×K | [437.10; 616.19] |
|
| Cp,gas | 258.25 | J/mol×K | 437.10 | Joback Calculated Property |
| Cp,gas | 270.55 | J/mol×K | 466.95 | Joback Calculated Property |
| Cp,gas | 282.34 | J/mol×K | 496.80 | Joback Calculated Property |
| Cp,gas | 293.63 | J/mol×K | 526.65 | Joback Calculated Property |
| Cp,gas | 304.44 | J/mol×K | 556.50 | Joback Calculated Property |
| Cp,gas | 314.77 | J/mol×K | 586.35 | Joback Calculated Property |
| Cp,gas | 324.62 | J/mol×K | 616.19 | Joback Calculated Property |
| η | [0.0002298; 0.0090882] | Pa×s | [205.49; 437.10] |
|
| η | 0.0090882 | Pa×s | 205.49 | Joback Calculated Property |
| η | 0.0030327 | Pa×s | 244.09 | Joback Calculated Property |
| η | 0.0013657 | Pa×s | 282.69 | Joback Calculated Property |
| η | 0.0007450 | Pa×s | 321.29 | Joback Calculated Property |
| η | 0.0004628 | Pa×s | 359.90 | Joback Calculated Property |
| η | 0.0003153 | Pa×s | 398.50 | Joback Calculated Property |
| η | 0.0002298 | Pa×s | 437.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 1-methyl-3-butenyl 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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