- InChI
- InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h3H,2,4H2,1H3
- InChI Key
- DOSOPEZOHKMQPJ-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1=CCCC(=O)O1
- Molecular Weight1
- 112.13
- CAS
- 3740-59-8
- Other Names
-
- 6-Methyl-3,4-dihydropyran-2-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -323.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.46 | kJ/mol | Joback Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.227 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| I | [1585.00; 1585.00] |
|
|
| I | 1585.00 | NIST | |
| I | 1585.00 | NIST | |
| Tboil | 481.07 | K | Relay (1.0) Calculated Property |
| Tfus | 251.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.85; 218.52] | J/mol×K | [414.92; 615.54] |
|
| Cp,gas | 164.85 | J/mol×K | 414.92 | Joback Calculated Property |
| Cp,gas | 175.13 | J/mol×K | 448.36 | Joback Calculated Property |
| Cp,gas | 184.85 | J/mol×K | 481.79 | Joback Calculated Property |
| Cp,gas | 194.04 | J/mol×K | 515.23 | Joback Calculated Property |
| Cp,gas | 202.70 | J/mol×K | 548.67 | Joback Calculated Property |
| Cp,gas | 210.85 | J/mol×K | 582.10 | Joback Calculated Property |
| Cp,gas | 218.52 | J/mol×K | 615.54 | Joback Calculated Property |
| η | [0.0003386; 0.0025718] | Pa×s | [231.65; 414.92] |
|
| η | 0.0025718 | Pa×s | 231.65 | Joback Calculated Property |
| η | 0.0015066 | Pa×s | 262.19 | Joback Calculated Property |
| η | 0.0009868 | Pa×s | 292.74 | Joback Calculated Property |
| η | 0.0007001 | Pa×s | 323.28 | Joback Calculated Property |
| η | 0.0005271 | Pa×s | 353.83 | Joback Calculated Property |
| η | 0.0004151 | Pa×s | 384.38 | Joback Calculated Property |
| η | 0.0003386 | Pa×s | 414.92 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Dihydro-6-methyl-2H-pyran-2-one.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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