- InChI
- InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3,5,7,9H,4,6H2,1-2H3/b5-3+
- InChI Key
- PCOMBRWRJCHFGG-HWKANZROSA-N
- Formula
- C8H14O3
- SMILES
- CC=CC(O)CC(=O)OCC
- Molecular Weight1
- 158.19
- CAS
- 20316-32-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -276.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.81 | kJ/mol | Joback Calculated Property |
| log10WS | -1.26 | Crippen Calculated Property | |
| logPoct/wat | 0.877 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Tboil | 554.63 | K | Joback Calculated Property |
| Tc | 733.07 | K | Joback Calculated Property |
| Tfus | 292.82 | K | Joback Calculated Property |
| Vc | 0.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.53; 370.71] | J/mol×K | [554.63; 733.07] | 
|
| Cp,gas | 314.53 | J/mol×K | 554.63 | Joback Calculated Property |
| Cp,gas | 325.03 | J/mol×K | 584.37 | Joback Calculated Property |
| Cp,gas | 335.05 | J/mol×K | 614.11 | Joback Calculated Property |
| Cp,gas | 344.62 | J/mol×K | 643.85 | Joback Calculated Property |
| Cp,gas | 353.74 | J/mol×K | 673.59 | Joback Calculated Property |
| Cp,gas | 362.44 | J/mol×K | 703.33 | Joback Calculated Property |
| Cp,gas | 370.71 | J/mol×K | 733.07 | Joback Calculated Property |
| η | [0.0000864; 0.0142179] | Pa×s | [292.82; 554.63] |
|
| η | 0.0142179 | Pa×s | 292.82 | Joback Calculated Property |
| η | 0.0034988 | Pa×s | 336.46 | Joback Calculated Property |
| η | 0.0011880 | Pa×s | 380.09 | Joback Calculated Property |
| η | 0.0005039 | Pa×s | 423.73 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 467.36 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 511.00 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 554.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxy-4-hexenoic acid, ethyl ester.
Sources
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