- InChI
- InChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3
- InChI Key
- KGJZBUMJSZTLTA-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CCCCC1C=CC(=O)O1
- Molecular Weight1
- 140.18
- 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).
- I : 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° | -125.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.71 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.658 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| I | [1937.00; 1937.00] |
|
|
| I | 1937.00 | NIST | |
| I | 1937.00 | NIST | |
| Tboil | 491.65 | K | Joback Calculated Property |
| Tc | 704.52 | K | Joback Calculated Property |
| Tfus | 286.37 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.08; 336.42] | J/mol×K | [491.65; 704.52] |
|
| Cp,gas | 261.08 | J/mol×K | 491.65 | Joback Calculated Property |
| Cp,gas | 275.26 | J/mol×K | 527.13 | Joback Calculated Property |
| Cp,gas | 288.79 | J/mol×K | 562.61 | Joback Calculated Property |
| Cp,gas | 301.67 | J/mol×K | 598.09 | Joback Calculated Property |
| Cp,gas | 313.90 | J/mol×K | 633.56 | Joback Calculated Property |
| Cp,gas | 325.49 | J/mol×K | 669.04 | Joback Calculated Property |
| Cp,gas | 336.42 | J/mol×K | 704.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Butyl-2(5H)-furanone.
Sources
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