- InChI
- InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
- InChI Key
- NOPFSRXAKWQILS-UHFFFAOYSA-N
- Formula
- C22H46O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCO
- Molecular Weight1
- 326.60
- CAS
- 661-19-8
- Other Names
-
- 1-Docosanol
- Abreva
- Behenyl alcohol
- Cachalot BE-22
- Dehydag wax 22 (lanette)
- Docosan-1-ol
- Docosanol
- Docosanol-(1)
- Docosyl alcohol
- Emery 3304
- IK 2
- Lanette 22
- Loxiol VPG 1451
- N-Eicosanol
- NAA 422
- NSC 8407
- Nacol 22-97
- Stenol 1822
- Stenol 1822A
- Tadenan
- n-Docosanol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -14450.00 ± 10.00 | kJ/mol | NIST |
| ΔfG° | -2.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.82 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [207.00; 239.00] | kJ/mol |
|
| ΔsubH° | 207.00 ± 10.00 | kJ/mol | NIST |
| ΔsubH° | 239.00 ± 10.00 | kJ/mol | NIST |
| ΔvapH° | 135.90 ± 0.80 | kJ/mol | NIST |
| log10WS | -8.29 | Crippen Calculated Property | |
| logPoct/wat | 7.801 | Crippen Calculated Property | |
| McVol | 326.710 | ml/mol | McGowan Calculated Property |
| Pc | 953.78 | kPa | Joback Calculated Property |
| Inp | [367.90; 2501.40] |
|
|
| Inp | 2470.40 | NIST | |
| Inp | 2475.00 | NIST | |
| Inp | 2476.00 | NIST | |
| Inp | 2456.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Inp | 2501.40 | NIST | |
| Inp | 2470.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Inp | 2493.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Inp | 2494.00 | NIST | |
| Inp | 2443.00 | NIST | |
| Inp | 2497.00 | NIST | |
| Inp | 2467.00 | NIST | |
| Inp | 2456.00 | NIST | |
| Inp | 2456.00 | NIST | |
| Inp | 2456.00 | NIST | |
| Inp | 2498.00 | NIST | |
| Inp | 2473.00 | NIST | |
| Inp | Outlier 397.16 | NIST | |
| Inp | Outlier 401.29 | NIST | |
| Inp | Outlier 400.57 | NIST | |
| Inp | Outlier 367.90 | NIST | |
| Inp | 2470.40 | NIST | |
| Inp | 2501.40 | NIST | |
| I | [2979.00; 2979.00] |
|
|
| I | 2979.00 | NIST | |
| I | 2979.00 | NIST | |
| Tboil | 794.94 | K | Joback Calculated Property |
| Tc | 973.24 | K | Joback Calculated Property |
| Tfus | [342.40; 344.50] | K |
|
| Tfus | 344.50 | K | Evaluat... |
| Tfus | 343.00 ± 0.25 | K | NIST |
| Tfus | 342.40 ± 0.60 | K | NIST |
| Tfus | 343.20 ± 3.00 | K | NIST |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1050.02; 1159.25] | J/mol×K | [794.94; 973.24] |
|
| Cp,gas | 1050.02 | J/mol×K | 794.94 | Joback Calculated Property |
| Cp,gas | 1070.56 | J/mol×K | 824.66 | Joback Calculated Property |
| Cp,gas | 1090.11 | J/mol×K | 854.37 | Joback Calculated Property |
| Cp,gas | 1108.71 | J/mol×K | 884.09 | Joback Calculated Property |
| Cp,gas | 1126.41 | J/mol×K | 913.81 | Joback Calculated Property |
| Cp,gas | 1143.24 | J/mol×K | 943.52 | Joback Calculated Property |
| Cp,gas | 1159.25 | J/mol×K | 973.24 | Joback Calculated Property |
| η | [0.0000136; 0.0022967] | Pa×s | [398.52; 794.94] |
|
| η | 0.0022967 | Pa×s | 398.52 | Joback Calculated Property |
| η | 0.0005314 | Pa×s | 464.59 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 530.66 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 596.73 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 662.80 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 728.87 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 794.94 | Joback Calculated Property |
| ΔfusH | [17.24; 86.06] | kJ/mol | [240.00; 345.20] |
|
| ΔfusH | 85.07 | kJ/mol | 240.00 | NIST |
| ΔfusH | 17.24 | kJ/mol | 333.90 | NIST |
| ΔfusH | 86.06 | kJ/mol | 343.90 | NIST |
| ΔfusH | 46.57 | kJ/mol | 345.20 | NIST |
| ΔfusH | 46.57 | kJ/mol | 345.20 | NIST |
| ΔsubH | 207.00 ± 10.00 | kJ/mol | 338.00 | NIST |
| ΔvapH | 115.30 | kJ/mol | 401.50 | NIST |
| ΔfusS | [50.72; 134.90] | J/mol×K | [333.90; 345.20] |
|
| ΔfusS | 50.72 | J/mol×K | 333.90 | NIST |
| ΔfusS | 134.90 | J/mol×K | 345.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 453.20 | K | 0.03 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [509.40; 705.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51940e+01 | |||
| Coefficient B | -5.76455e+03 | |||
| Coefficient C | -1.22684e+02 | |||
| Temperature range, min. | 509.40 | |||
| Temperature range, max. | 705.99 | |||
| Pvap | 1.33 | kPa | 509.40 | Calculated Property |
| Pvap | 2.96 | kPa | 531.24 | Calculated Property |
| Pvap | 6.05 | kPa | 553.09 | Calculated Property |
| Pvap | 11.56 | kPa | 574.93 | Calculated Property |
| Pvap | 20.80 | kPa | 596.77 | Calculated Property |
| Pvap | 35.53 | kPa | 618.62 | Calculated Property |
| Pvap | 58.02 | kPa | 640.46 | Calculated Property |
| Pvap | 91.05 | kPa | 662.30 | Calculated Property |
| Pvap | 137.96 | kPa | 684.15 | Calculated Property |
| Pvap | 202.65 | kPa | 705.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Behenic alcohol.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Phase equilibria of high molecular mass 1-alcohols in supercritical propane
- Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.