- InChI
- InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3
- InChI Key
- JFVQYQDTHWLYHG-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CCC1CCCC(=O)O1
- Molecular Weight1
- 128.17
- CAS
- 3301-90-4
- Other Names
-
- Heptanoic acid, 5-hydroxy-, «delta»-lactone
- 5-Hydroxyheptanoic acid lactone
- 6-Ethyltetrahydro-2H-pyran-2-one
- «delta»-Heptalactone
- «delta»-Heptanolide
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -445.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Inp | 1147.00 | NIST | |
| I | 1976.00 | NIST | |
| Tboil | 521.41 | K | Relay (1.0) Calculated Property |
| Tfus | 215.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [216.98; 288.47] | J/mol×K | [428.99; 623.73] | 
|
| Cp,gas | 216.98 | J/mol×K | 428.99 | Joback Calculated Property |
| Cp,gas | 230.52 | J/mol×K | 461.45 | Joback Calculated Property |
| Cp,gas | 243.39 | J/mol×K | 493.90 | Joback Calculated Property |
| Cp,gas | 255.60 | J/mol×K | 526.36 | Joback Calculated Property |
| Cp,gas | 267.17 | J/mol×K | 558.82 | Joback Calculated Property |
| Cp,gas | 278.12 | J/mol×K | 591.27 | Joback Calculated Property |
| Cp,gas | 288.47 | J/mol×K | 623.73 | Joback Calculated Property |
| η | [0.0003663; 0.0033896] | Pa×s | [225.40; 428.99] |
|
| η | 0.0033896 | Pa×s | 225.40 | Joback Calculated Property |
| η | 0.0018354 | Pa×s | 259.33 | Joback Calculated Property |
| η | 0.0011454 | Pa×s | 293.26 | Joback Calculated Property |
| η | 0.0007882 | Pa×s | 327.19 | Joback Calculated Property |
| η | 0.0005819 | Pa×s | 361.13 | Joback Calculated Property |
| η | 0.0004526 | Pa×s | 395.06 | Joback Calculated Property |
| η | 0.0003663 | Pa×s | 428.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, 6-ethyltetrahydro-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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