- InChI
- InChI=1S/C10H16O2/c1-4-6-7-8-12-10(11)9(3)5-2/h4-5H,1,6-8H2,2-3H3/b9-5+
- InChI Key
- BECSTUASVFEUNB-WEVVVXLNSA-N
- Formula
- C10H16O2
- SMILES
- C=CCCCOC(=O)C(C)=CC
- Molecular Weight1
- 168.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 | -373.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.11 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.462 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Inp | [1220.00; 1220.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Tboil | 478.48 | K | Relay (1.0) Calculated Property |
| Tfus | 213.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [327.04; 400.24] | J/mol×K | [487.34; 670.91] |
|
| Cp,gas | 327.04 | J/mol×K | 487.34 | Joback Calculated Property |
| Cp,gas | 340.82 | J/mol×K | 517.94 | Joback Calculated Property |
| Cp,gas | 353.95 | J/mol×K | 548.53 | Joback Calculated Property |
| Cp,gas | 366.43 | J/mol×K | 579.13 | Joback Calculated Property |
| Cp,gas | 378.29 | J/mol×K | 609.72 | Joback Calculated Property |
| Cp,gas | 389.56 | J/mol×K | 640.32 | Joback Calculated Property |
| Cp,gas | 400.24 | J/mol×K | 670.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pent-4-enyl (E)-2-methylbut-2-enoate.
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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