- InChI
- InChI=1S/C9H16O2/c1-5-8(4)6-11-9(10)7(2)3/h5,7H,6H2,1-4H3/b8-5+
- InChI Key
- LHTYVXHADNEJSK-VMPITWQZSA-N
- Formula
- C9H16O2
- SMILES
- C/C=C(\C)COC(=O)C(C)C
- Molecular Weight1
- 156.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4385 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -438.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Inp | [1059.40; 1059.40] |
|
|
| Inp | 1059.40 | NIST | |
| Inp | 1059.40 | NIST | |
| Tboil | 436.64 | K | Relay (1.0) Calculated Property |
| Tc | 630.62 | K | Relay (1.0) Calculated Property |
| Tfus | 197.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [300.75; 374.49] | J/mol×K | [467.34; 653.06] |
|
| Cp,gas | 300.75 | J/mol×K | 467.34 | Joback Calculated Property |
| Cp,gas | 314.57 | J/mol×K | 498.29 | Joback Calculated Property |
| Cp,gas | 327.76 | J/mol×K | 529.25 | Joback Calculated Property |
| Cp,gas | 340.33 | J/mol×K | 560.20 | Joback Calculated Property |
| Cp,gas | 352.30 | J/mol×K | 591.15 | Joback Calculated Property |
| Cp,gas | 363.68 | J/mol×K | 622.10 | Joback Calculated Property |
| Cp,gas | 374.49 | J/mol×K | 653.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Methylbut-2-en-1-yl isobutyrate.
Sources
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