- InChI
- InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
- InChI Key
- IGRURXZWJCSNKU-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=C(C)CC(=O)O
- Molecular Weight1
- 100.12
- CAS
- 1617-31-8
- Other Names
-
- 3-Methyl-3-butenoic acid
- 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).
- Pvap : Vapor pressure (kPa).
- 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° | -195.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.56 | kJ/mol | Joback Calculated Property |
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4468.24 | kPa | Joback Calculated Property |
| Tboil | 456.41 | K | Joback Calculated Property |
| Tc | 635.70 | K | Joback Calculated Property |
| Tfus | 241.14 | K | Joback Calculated Property |
| Vc | 0.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.51; 206.06] | J/mol×K | [456.41; 635.70] | 
|
| Cp,gas | 167.51 | J/mol×K | 456.41 | Joback Calculated Property |
| Cp,gas | 174.73 | J/mol×K | 486.29 | Joback Calculated Property |
| Cp,gas | 181.61 | J/mol×K | 516.17 | Joback Calculated Property |
| Cp,gas | 188.18 | J/mol×K | 546.06 | Joback Calculated Property |
| Cp,gas | 194.43 | J/mol×K | 575.94 | Joback Calculated Property |
| Cp,gas | 200.39 | J/mol×K | 605.82 | Joback Calculated Property |
| Cp,gas | 206.06 | J/mol×K | 635.70 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [342.00; 499.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41304e+01 | |||
| Coefficient B | -3.81714e+03 | |||
| Coefficient C | -6.62500e+01 | |||
| Temperature range, min. | 342.00 | |||
| Temperature range, max. | 499.09 | |||
| Pvap | 1.33 | kPa | 342.00 | Calculated Property |
| Pvap | 3.04 | kPa | 359.45 | Calculated Property |
| Pvap | 6.32 | kPa | 376.91 | Calculated Property |
| Pvap | 12.14 | kPa | 394.36 | Calculated Property |
| Pvap | 21.85 | kPa | 411.82 | Calculated Property |
| Pvap | 37.17 | kPa | 429.27 | Calculated Property |
| Pvap | 60.21 | kPa | 446.73 | Calculated Property |
| Pvap | 93.49 | kPa | 464.18 | Calculated Property |
| Pvap | 139.91 | kPa | 481.64 | Calculated Property |
| Pvap | 202.66 | kPa | 499.09 | Calculated Property |
Similar Compounds
Find more compounds similar to CH2=C(CH3)CH2COOH.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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