- InChI
- InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(18)19-16/h16H,2-15H2,1H3
- InChI Key
- SNHVOIJTSDIHOA-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 268.43
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.7892 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.393 | Crippen Calculated Property | |
| McVol | 246.970 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | [2089.00; 2089.00] |
|
|
| Inp | 2089.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Tboil | 636.29 | K | Relay (1.0) Calculated Property |
| Tc | 816.73 | K | Relay (1.0) Calculated Property |
| Tfus | 294.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.12; 886.00] | 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 | -4.25190e+01 | |||
| Coefficient B | 1.70532e+00 | |||
| Coefficient C | -9.80200e-04 | |||
| Coefficient D | 2.03400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 354.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 447.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 530.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 603.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 668.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 725.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 775.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 818.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 854.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 886.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032940; 0.0002727] | Pa×s | [338.10; 584.45] |
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 | -1.16264e+01 | |||
| Coefficient B | 1.99841e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 338.10 | |||
| Temperature range, max. | 584.45 | |||
| η | 0.0032940 | Pa×s | 338.10 | Calculated Property |
| η | 0.0021157 | Pa×s | 365.47 | Calculated Property |
| η | 0.0014454 | Pa×s | 392.84 | Calculated Property |
| η | 0.0010377 | Pa×s | 420.22 | Calculated Property |
| η | 0.0007759 | Pa×s | 447.59 | Calculated Property |
| η | 0.0005998 | Pa×s | 474.96 | Calculated Property |
| η | 0.0004769 | Pa×s | 502.33 | Calculated Property |
| η | 0.0003883 | Pa×s | 529.71 | Calculated Property |
| η | 0.0003226 | Pa×s | 557.08 | Calculated Property |
| η | 0.0002727 | Pa×s | 584.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxy-heptadecanoic acid, «delta»-lactone.
Sources
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