- InChI
- InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
- InChI Key
- NBKXNUWCFMZFMM-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=CCOC(=O)C(CC)CC
- Molecular Weight1
- 156.22
- CAS
- 7493-69-8
- Other Names
-
- Butanoic acid, 2-ethyl-, 2-propenyl ester
- Butyric acid, 2-ethyl-, allyl ester
- 2-Propenyl 2-ethylbutanoate
- Allyl 2-ethylbutanoate
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -430.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Inp | 995.00 | NIST | |
| I | 1254.00 | NIST | |
| Tboil | 430.85 | 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 | [300.16; 372.04] | J/mol×K | [459.98; 637.63] | 
|
| Cp,gas | 300.16 | J/mol×K | 459.98 | Joback Calculated Property |
| Cp,gas | 313.49 | J/mol×K | 489.59 | Joback Calculated Property |
| Cp,gas | 326.27 | J/mol×K | 519.20 | Joback Calculated Property |
| Cp,gas | 338.51 | J/mol×K | 548.81 | Joback Calculated Property |
| Cp,gas | 350.21 | J/mol×K | 578.42 | Joback Calculated Property |
| Cp,gas | 361.39 | J/mol×K | 608.02 | Joback Calculated Property |
| Cp,gas | 372.04 | J/mol×K | 637.63 | Joback Calculated Property |
| η | [0.0002159; 0.0088076] | Pa×s | [216.76; 459.98] |
|
| η | 0.0088076 | Pa×s | 216.76 | Joback Calculated Property |
| η | 0.0029172 | Pa×s | 257.30 | Joback Calculated Property |
| η | 0.0013053 | Pa×s | 297.83 | Joback Calculated Property |
| η | 0.0007082 | Pa×s | 338.37 | Joback Calculated Property |
| η | 0.0004379 | Pa×s | 378.91 | Joback Calculated Property |
| η | 0.0002972 | Pa×s | 419.44 | Joback Calculated Property |
| η | 0.0002159 | Pa×s | 459.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl 2-ethyl butyrate.
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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