- InChI
- InChI=1S/C9H16O2/c1-5-6-7-8(10)11-9(2,3)4/h6-7H,5H2,1-4H3/b7-6+
- InChI Key
- RMMULFUBQFKFRL-VOTSOKGWSA-N
- Formula
- C9H16O2
- SMILES
- CCC=CC(=O)OC(C)(C)C
- Molecular Weight1
- 156.22
- CAS
- 81643-03-0
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -486.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.294 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Tboil | 418.20 | K | Relay (1.0) Calculated Property |
| Tc | 608.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [303.37; 378.93] | J/mol×K | [464.67; 654.34] | 
|
| Cp,gas | 303.37 | J/mol×K | 464.67 | Joback Calculated Property |
| Cp,gas | 317.82 | J/mol×K | 496.28 | Joback Calculated Property |
| Cp,gas | 331.48 | J/mol×K | 527.89 | Joback Calculated Property |
| Cp,gas | 344.40 | J/mol×K | 559.50 | Joback Calculated Property |
| Cp,gas | 356.59 | J/mol×K | 591.11 | Joback Calculated Property |
| Cp,gas | 368.09 | J/mol×K | 622.73 | Joback Calculated Property |
| Cp,gas | 378.93 | J/mol×K | 654.34 | Joback Calculated Property |
| η | [0.0001894; 0.0088613] | Pa×s | [230.86; 464.67] |
|
| η | 0.0088613 | Pa×s | 230.86 | Joback Calculated Property |
| η | 0.0029387 | Pa×s | 269.83 | Joback Calculated Property |
| η | 0.0012876 | Pa×s | 308.80 | Joback Calculated Property |
| η | 0.0006788 | Pa×s | 347.76 | Joback Calculated Property |
| η | 0.0004071 | Pa×s | 386.73 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 425.70 | Joback Calculated Property |
| η | 0.0001894 | Pa×s | 464.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentenoic acid, 1,1-dimethylethyl ester, (E)-.
Sources
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