- InChI
- InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
- InChI Key
- JJYWRQLLQAKNAD-SNAWJCMRSA-N
- Formula
- C6H10O2
- SMILES
- CCC=C(C)C(=O)O
- Molecular Weight1
- 114.14
- CAS
- 16957-70-3
- Other Names
-
- (E)-2-methylpent-2-en-1-oic acid
- trans-2-Methyl-2-pentenoic 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).
- Tboilr : Boiling point at reduced pressure (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° | -194.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 1.427 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 486.77 | K | Joback Calculated Property |
| Tc | 669.02 | K | Joback Calculated Property |
| Tfus | 249.09 | K | Joback Calculated Property |
| Vc | 0.378 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.98; 251.22] | J/mol×K | [486.77; 669.02] | 
|
| Cp,gas | 205.98 | J/mol×K | 486.77 | Joback Calculated Property |
| Cp,gas | 214.52 | J/mol×K | 517.15 | Joback Calculated Property |
| Cp,gas | 222.63 | J/mol×K | 547.52 | Joback Calculated Property |
| Cp,gas | 230.34 | J/mol×K | 577.90 | Joback Calculated Property |
| Cp,gas | 237.66 | J/mol×K | 608.27 | Joback Calculated Property |
| Cp,gas | 244.62 | J/mol×K | 638.65 | Joback Calculated Property |
| Cp,gas | 251.22 | J/mol×K | 669.02 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 397.20 | K | 4.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [371.72; 518.22] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54325e+01 | |||
| Coefficient B | -4.46991e+03 | |||
| Coefficient C | -7.65780e+01 | |||
| Temperature range, min. | 371.72 | |||
| Temperature range, max. | 518.22 | |||
| Pvap | 1.33 | kPa | 371.72 | Calculated Property |
| Pvap | 2.94 | kPa | 388.00 | Calculated Property |
| Pvap | 6.00 | kPa | 404.28 | Calculated Property |
| Pvap | 11.45 | kPa | 420.55 | Calculated Property |
| Pvap | 20.59 | kPa | 436.83 | Calculated Property |
| Pvap | 35.21 | kPa | 453.11 | Calculated Property |
| Pvap | 57.58 | kPa | 469.39 | Calculated Property |
| Pvap | 90.56 | kPa | 485.66 | Calculated Property |
| Pvap | 137.57 | kPa | 501.94 | Calculated Property |
| Pvap | 202.64 | kPa | 518.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenoic acid, 2-methyl-, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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