- InChI
- InChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h3,6-7H,2,4-5H2,1H3
- InChI Key
- ZFFLYUGDQAHVSE-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CCCC1CC=CC(=O)O1
- Molecular Weight1
- 140.18
- CAS
- 16400-69-4
- 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° | -137.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.658 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1267.50] |
|
|
| Inp | 1267.50 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1267.50 | NIST | |
| Inp | 1260.00 | NIST | |
| I | [2005.00; 2005.00] |
|
|
| I | 2005.00 | NIST | |
| I | 2005.00 | NIST | |
| Tboil | 495.92 | K | Joback Calculated Property |
| Tc | 717.03 | K | Joback Calculated Property |
| Tfus | 282.85 | K | Joback Calculated Property |
| Vc | 0.430 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.71; 340.96] | J/mol×K | [495.92; 717.03] |
|
| Cp,gas | 260.71 | J/mol×K | 495.92 | Joback Calculated Property |
| Cp,gas | 275.87 | J/mol×K | 532.77 | Joback Calculated Property |
| Cp,gas | 290.33 | J/mol×K | 569.62 | Joback Calculated Property |
| Cp,gas | 304.07 | J/mol×K | 606.47 | Joback Calculated Property |
| Cp,gas | 317.10 | J/mol×K | 643.33 | Joback Calculated Property |
| Cp,gas | 329.40 | J/mol×K | 680.18 | Joback Calculated Property |
| Cp,gas | 340.96 | J/mol×K | 717.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Propyl-5,6-dihydro-2H-pyran-2-one.
Sources
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