- InChI
- InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(20)21-18/h18H,2-17H2,1H3
- InChI Key
- XIAPRFCGBMILCN-UHFFFAOYSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCCCCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 296.49
- 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 | 0.8596 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.173 | Crippen Calculated Property | |
| McVol | 275.150 | ml/mol | McGowan Calculated Property |
| Pc | 1203.96 | kPa | Joback Calculated Property |
| Inp | [2285.00; 2285.00] |
|
|
| Inp | 2285.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Tboil | 649.32 | K | Relay (1.0) Calculated Property |
| Tc | 833.98 | K | Relay (1.0) Calculated Property |
| Tfus | 302.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.055 | 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 | [396.55; 989.18] | 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 | -4.43370e+01 | |||
| Coefficient B | 1.89532e+00 | |||
| Coefficient C | -1.08900e-03 | |||
| Coefficient D | 2.27200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 396.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 499.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 592.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 746.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 810.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 865.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 913.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 954.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 989.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028470; 0.0002303] | Pa×s | [360.64; 616.16] |
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 | -1.19250e+01 | |||
| Coefficient B | 2.18673e+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. | 360.64 | |||
| Temperature range, max. | 616.16 | |||
| η | 0.0028470 | Pa×s | 360.64 | Calculated Property |
| η | 0.0018290 | Pa×s | 389.03 | Calculated Property |
| η | 0.0012479 | Pa×s | 417.42 | Calculated Property |
| η | 0.0008939 | Pa×s | 445.81 | Calculated Property |
| η | 0.0006664 | Pa×s | 474.21 | Calculated Property |
| η | 0.0005136 | Pa×s | 502.60 | Calculated Property |
| η | 0.0004070 | Pa×s | 530.99 | Calculated Property |
| η | 0.0003302 | Pa×s | 559.38 | Calculated Property |
| η | 0.0002734 | Pa×s | 587.77 | Calculated Property |
| η | 0.0002303 | Pa×s | 616.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxy-nonadecanoic, .delta.-lactone.
Sources
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