- InChI
- InChI=1S/C7H10O2/c1-2-6-4-3-5-7(8)9-6/h3,5-6H,2,4H2,1H3
- InChI Key
- PBTYTLMBTXXZJF-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- CCC1CC=CC(=O)O1
- Molecular Weight1
- 126.15
- CAS
- 19895-35-3
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.3565 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.268 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 3796.32 | kPa | Joback Calculated Property |
| Inp | [1160.20; 1160.20] |
|
|
| Inp | 1160.20 | NIST | |
| Inp | 1160.20 | NIST | |
| Tboil | 491.80 | K | Relay (1.0) Calculated Property |
| Tc | 644.62 | K | Relay (1.0) Calculated Property |
| Tfus | 229.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.82; 292.08] | J/mol×K | [473.04; 697.80] |
|
| Cp,gas | 217.82 | J/mol×K | 473.04 | Joback Calculated Property |
| Cp,gas | 231.80 | J/mol×K | 510.50 | Joback Calculated Property |
| Cp,gas | 245.14 | J/mol×K | 547.96 | Joback Calculated Property |
| Cp,gas | 257.86 | J/mol×K | 585.42 | Joback Calculated Property |
| Cp,gas | 269.93 | J/mol×K | 622.88 | Joback Calculated Property |
| Cp,gas | 281.34 | J/mol×K | 660.34 | Joback Calculated Property |
| Cp,gas | 292.08 | J/mol×K | 697.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Ethyl-5,6-dihydro-2H-pyran-2-one.
Sources
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