- InChI
- InChI=1S/C8H12O3/c1-6(2)4-7(5-9)8(10)11-3/h4-5,9H,1-3H3/b7-5+
- InChI Key
- FTXSRGLQMZZFQL-FNORWQNLSA-N
- Formula
- C8H12O3
- SMILES
- COC(=O)C(C=C(C)C)=CO
- Molecular Weight1
- 156.18
- CAS
- 90199-77-2
- 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).
- 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° | -210.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.567 | Crippen Calculated Property | |
| McVol | 128.290 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Tboil | 558.99 | K | Joback Calculated Property |
| Tc | 747.20 | K | Joback Calculated Property |
| Tfus | 274.82 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.37; 346.93] | J/mol×K | [558.99; 747.20] | 
|
| Cp,gas | 294.37 | J/mol×K | 558.99 | Joback Calculated Property |
| Cp,gas | 304.32 | J/mol×K | 590.36 | Joback Calculated Property |
| Cp,gas | 313.76 | J/mol×K | 621.73 | Joback Calculated Property |
| Cp,gas | 322.72 | J/mol×K | 653.10 | Joback Calculated Property |
| Cp,gas | 331.22 | J/mol×K | 684.47 | Joback Calculated Property |
| Cp,gas | 339.28 | J/mol×K | 715.83 | Joback Calculated Property |
| Cp,gas | 346.93 | J/mol×K | 747.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentenoic acid, 2-hydroxymethylene-4-methyl-, methyl ester.
Sources
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