- 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
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3534 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.227 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4391.59 | kPa | Joback Calculated Property |
| I | [1585.00; 1585.00] |
|
|
| I | 1585.00 | NIST | |
| I | 1585.00 | NIST | |
| Tboil | 481.07 | K | Relay (1.0) Calculated Property |
| Tc | 676.54 | K | Relay (1.0) Calculated Property |
| Tfus | 259.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.307 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.28; 239.44] | J/mol×K | [459.81; 689.89] |
|
| Cp,gas | 176.28 | J/mol×K | 459.81 | Joback Calculated Property |
| Cp,gas | 188.09 | J/mol×K | 498.16 | Joback Calculated Property |
| Cp,gas | 199.41 | J/mol×K | 536.50 | Joback Calculated Property |
| Cp,gas | 210.21 | J/mol×K | 574.85 | Joback Calculated Property |
| Cp,gas | 220.50 | J/mol×K | 613.20 | Joback Calculated Property |
| Cp,gas | 230.25 | J/mol×K | 651.55 | Joback Calculated Property |
| Cp,gas | 239.44 | J/mol×K | 689.89 | 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
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