- InChI
- InChI=1S/C6H10O2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3
- InChI Key
- SPEHEHYVDRYEDX-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC1CCCOC1=O
- Molecular Weight1
- 114.14
- 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° | -184.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.14 | kJ/mol | Joback Calculated Property |
| log10WS | -0.85 | Crippen Calculated Property | |
| logPoct/wat | 0.959 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| I | 1728.00 | NIST | |
| Tboil | 451.00 | K | Joback Calculated Property |
| Tc | 676.91 | K | Joback Calculated Property |
| Tfus | 259.55 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.86; 267.01] | J/mol×K | [451.00; 676.91] | 
|
| Cp,gas | 191.86 | J/mol×K | 451.00 | Joback Calculated Property |
| Cp,gas | 205.87 | J/mol×K | 488.65 | Joback Calculated Property |
| Cp,gas | 219.30 | J/mol×K | 526.30 | Joback Calculated Property |
| Cp,gas | 232.15 | J/mol×K | 563.96 | Joback Calculated Property |
| Cp,gas | 244.40 | J/mol×K | 601.61 | Joback Calculated Property |
| Cp,gas | 256.02 | J/mol×K | 639.26 | Joback Calculated Property |
| Cp,gas | 267.01 | J/mol×K | 676.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-5-pentanolide.
Sources
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