- InChI
- InChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3-5H2,1-2H3
- InChI Key
- MJFDQFVZHVJKFU-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CCC1(C)CCC(=O)O1
- Molecular Weight1
- 128.17
- CAS
- 2865-82-9
- Other Names
-
- «gamma»-Methyl-«gamma»-caprolactone
- «gamma»-Methyl-«gamma»-ethylbutyrolactone
- 4-Hydroxy-4-methylhexanoic acid lactone
- 4-Methyl-4-hexanolide
- 4-Methyl-4-hydroxyhexanoic acid lactone
- Hexanoic acid, 4-hydroxy-4-methyl-, «gamma»-lactone
- 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).
- Inp : Non-polar retention indices.
- 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° | -169.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 3722.56 | kPa | Joback Calculated Property |
| Inp | [1052.00; 1095.00] |
|
|
| Inp | 1052.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1052.00 | NIST | |
| I | [1666.00; 1666.00] |
|
|
| I | 1666.00 | NIST | |
| I | 1666.00 | NIST | |
| Tboil | 469.85 | K | Joback Calculated Property |
| Tc | 693.32 | K | Joback Calculated Property |
| Tfus | 298.24 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.88; 309.50] | J/mol×K | [469.85; 693.32] |
|
| Cp,gas | 234.88 | J/mol×K | 469.85 | Joback Calculated Property |
| Cp,gas | 249.25 | J/mol×K | 507.10 | Joback Calculated Property |
| Cp,gas | 262.72 | J/mol×K | 544.34 | Joback Calculated Property |
| Cp,gas | 275.40 | J/mol×K | 581.59 | Joback Calculated Property |
| Cp,gas | 287.36 | J/mol×K | 618.83 | Joback Calculated Property |
| Cp,gas | 298.70 | J/mol×K | 656.08 | Joback Calculated Property |
| Cp,gas | 309.50 | J/mol×K | 693.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-ethyldihydro-5-methyl-.
Sources
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