- InChI
- InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)
- InChI Key
- CQJHAULYLJXJNL-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC(C)=CCC(=O)O
- Molecular Weight1
- 114.14
- CAS
- 504-85-8
- Other Names
-
- Pyroterebic acid
- 4-Methyl-3-pentenoic acid
- 4-methylpent-3-enoic 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).
- 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° | -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 |
| Inp | [1011.00; 1011.00] |
|
|
| Inp | 1011.00 | NIST | |
| Inp | 1011.00 | NIST | |
| 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 |
Similar Compounds
Find more compounds similar to 3-Pentenoic acid, 4-methyl-.
Sources
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