- InChI
- InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3
- InChI Key
- DYNKRGCMLGUEMN-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1CC=CC(=O)O1
- Molecular Weight1
- 112.13
- CAS
- 108-54-3
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3285 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.878 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Tboil | 466.61 | K | Relay (1.0) Calculated Property |
| Tc | 622.39 | K | Relay (1.0) Calculated Property |
| Tfus | 232.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.07; 244.41] | J/mol×K | [450.16; 678.51] | 
|
| Cp,gas | 177.07 | J/mol×K | 450.16 | Joback Calculated Property |
| Cp,gas | 189.67 | J/mol×K | 488.22 | Joback Calculated Property |
| Cp,gas | 201.74 | J/mol×K | 526.28 | Joback Calculated Property |
| Cp,gas | 213.26 | J/mol×K | 564.33 | Joback Calculated Property |
| Cp,gas | 224.23 | J/mol×K | 602.39 | Joback Calculated Property |
| Cp,gas | 234.62 | J/mol×K | 640.45 | Joback Calculated Property |
| Cp,gas | 244.41 | J/mol×K | 678.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-lactone of 5-hydroxy-2-hexenoic acid.
Sources
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