- InChI
- InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h1,3,5H2,2,4H3
- InChI Key
- TVBLIEXOPWWREN-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- C=C(C)COC(=O)C(=C)C
- Molecular Weight1
- 140.18
- CAS
- 816-74-0
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -58.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 1.682 | Crippen Calculated Property | |
| McVol | 122.420 | ml/mol | McGowan Calculated Property |
| Pc | 2934.52 | kPa | Joback Calculated Property |
| Inp | [954.00; 954.00] |
|
|
| Inp | 954.00 | NIST | |
| Inp | 954.00 | NIST | |
| Tboil | 451.85 | K | Joback Calculated Property |
| Tc | 641.06 | K | Joback Calculated Property |
| Tfus | 220.64 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.48; 307.49] | J/mol×K | [451.85; 641.06] |
|
| Cp,gas | 246.48 | J/mol×K | 451.85 | Joback Calculated Property |
| Cp,gas | 257.84 | J/mol×K | 483.38 | Joback Calculated Property |
| Cp,gas | 268.71 | J/mol×K | 514.92 | Joback Calculated Property |
| Cp,gas | 279.10 | J/mol×K | 546.45 | Joback Calculated Property |
| Cp,gas | 289.02 | J/mol×K | 577.99 | Joback Calculated Property |
| Cp,gas | 298.48 | J/mol×K | 609.52 | Joback Calculated Property |
| Cp,gas | 307.49 | J/mol×K | 641.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-2-propenoic acid.
Sources
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