- InChI
- InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h4,6H,1,5H2,2-3H3
- InChI Key
- LPKNFPRCXZELLI-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CC(C)CC(=O)OC
- Molecular Weight1
- 128.17
- CAS
- 20459-97-6
- Other Names
-
- methyl 3-methyl-4-pentenoate
- 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).
- Pc : Critical Pressure (kPa).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -385.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.372 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| I | 1140.00 | NIST | |
| Tboil | 383.62 | K | Relay (1.0) Calculated Property |
| Tfus | 194.45 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [222.93; 281.64] | J/mol×K | [432.09; 616.21] | 
|
| Cp,gas | 222.93 | J/mol×K | 432.09 | Joback Calculated Property |
| Cp,gas | 233.73 | J/mol×K | 462.78 | Joback Calculated Property |
| Cp,gas | 244.12 | J/mol×K | 493.46 | Joback Calculated Property |
| Cp,gas | 254.10 | J/mol×K | 524.15 | Joback Calculated Property |
| Cp,gas | 263.67 | J/mol×K | 554.84 | Joback Calculated Property |
| Cp,gas | 272.85 | J/mol×K | 585.52 | Joback Calculated Property |
| Cp,gas | 281.64 | J/mol×K | 616.21 | Joback Calculated Property |
| η | [0.0002529; 0.0042260] | Pa×s | [224.05; 432.09] |
|
| η | 0.0042260 | Pa×s | 224.05 | Joback Calculated Property |
| η | 0.0019297 | Pa×s | 258.72 | Joback Calculated Property |
| η | 0.0010605 | Pa×s | 293.40 | Joback Calculated Property |
| η | 0.0006615 | Pa×s | 328.07 | Joback Calculated Property |
| η | 0.0004515 | Pa×s | 362.74 | Joback Calculated Property |
| η | 0.0003294 | Pa×s | 397.42 | Joback Calculated Property |
| η | 0.0002529 | Pa×s | 432.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 3-methyl-, methyl ester.
Sources
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