- InChI
- InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h16H,2-15H2,1H3
- InChI Key
- ZZKHCCCWEVWBPD-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCCCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 268.43
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -647.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.24 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.393 | Crippen Calculated Property | |
| McVol | 246.970 | ml/mol | McGowan Calculated Property |
| Inp | [2098.00; 2098.00] |
|
|
| Inp | 2098.00 | NIST | |
| Inp | 2098.00 | NIST | |
| Tboil | 627.86 | K | Relay (1.0) Calculated Property |
| Tfus | 295.11 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.01; 884.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.73980e+01 | |||
| Coefficient B | 1.71492e+00 | |||
| Coefficient C | -1.02660e-03 | |||
| Coefficient D | 2.33300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 359.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 451.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 533.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 605.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 669.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 725.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 774.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 816.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 852.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 884.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030211; 0.0003556] | Pa×s | [341.62; 578.49] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10274e+01 | |||
| Coefficient B | 1.78504e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 341.62 | |||
| Temperature range, max. | 578.49 | |||
| η | 0.0030211 | Pa×s | 341.62 | Calculated Property |
| η | 0.0020789 | Pa×s | 367.94 | Calculated Property |
| η | 0.0015038 | Pa×s | 394.26 | Calculated Property |
| η | 0.0011328 | Pa×s | 420.58 | Calculated Property |
| η | 0.0008822 | Pa×s | 446.90 | Calculated Property |
| η | 0.0007065 | Pa×s | 473.21 | Calculated Property |
| η | 0.0005791 | Pa×s | 499.53 | Calculated Property |
| η | 0.0004843 | Pa×s | 525.85 | Calculated Property |
| η | 0.0004120 | Pa×s | 552.17 | Calculated Property |
| η | 0.0003556 | Pa×s | 578.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-heptadecanoic acid, «gamma»-lactone.
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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