- InChI
- InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
- InChI Key
- UIERETOOQGIECD-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CC=C(C)C(=O)O
- Molecular Weight1
- 100.12
- CAS
- 13201-46-2
- Other Names
-
- Crotonic acid, 2-methyl-
- 2-Methyl-2-butenoic acid
- CH3CH=C(CH3)COOH
- «alpha»-Methylcrotonic acid
- 2-Methylcrotonic acid
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.5723 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | NIST |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4528.58 | kPa | Joback Calculated Property |
| Inp | [921.00; 934.00] |
|
|
| Inp | 921.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 934.00 | NIST | |
| I | [1808.00; 1851.00] |
|
|
| I | 1851.00 | NIST | |
| I | 1835.00 | NIST | |
| I | 1808.00 | NIST | |
| I | 1808.00 | NIST | |
| I | 1808.00 | NIST | |
| Tboil | 457.88 | K | Relay (1.0) Calculated Property |
| Tc | 653.95 | K | Relay (1.0) Calculated Property |
| Tfus | 343.00 ± 2.00 | K | NIST |
| Vc | 0.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.62; 205.63] | J/mol×K | [463.89; 647.95] |
|
| Cp,gas | 166.62 | J/mol×K | 463.89 | Joback Calculated Property |
| Cp,gas | 174.00 | J/mol×K | 494.57 | Joback Calculated Property |
| Cp,gas | 181.01 | J/mol×K | 525.24 | Joback Calculated Property |
| Cp,gas | 187.67 | J/mol×K | 555.92 | Joback Calculated Property |
| Cp,gas | 193.97 | J/mol×K | 586.60 | Joback Calculated Property |
| Cp,gas | 199.96 | J/mol×K | 617.27 | Joback Calculated Property |
| Cp,gas | 205.63 | J/mol×K | 647.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-methyl-.
Sources
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