- InChI
- InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3-
- InChI Key
- NEJDKFPXHQRVMV-HWKANZROSA-N
- Formula
- C5H10O
- SMILES
- C/C=C(\C)CO
- Molecular Weight1
- 86.13
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 | 0.5028 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.945 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 4167.71 | kPa | Joback Calculated Property |
| I | [1322.00; 1322.00] |
|
|
| I | 1322.00 | NIST | |
| I | 1322.00 | NIST | |
| Tboil | 405.91 | K | Relay (1.0) Calculated Property |
| Tc | 599.73 | K | Relay (1.0) Calculated Property |
| Tfus | 206.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.34; 197.69] | J/mol×K | [410.22; 583.16] |
|
| Cp,gas | 154.34 | J/mol×K | 410.22 | Joback Calculated Property |
| Cp,gas | 162.44 | J/mol×K | 439.04 | Joback Calculated Property |
| Cp,gas | 170.17 | J/mol×K | 467.87 | Joback Calculated Property |
| Cp,gas | 177.54 | J/mol×K | 496.69 | Joback Calculated Property |
| Cp,gas | 184.58 | J/mol×K | 525.52 | Joback Calculated Property |
| Cp,gas | 191.29 | J/mol×K | 554.34 | Joback Calculated Property |
| Cp,gas | 197.69 | J/mol×K | 583.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-(E)-2-butenol.
Sources
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