- InChI
- InChI=1S/C21H44O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
- InChI Key
- BCNCKKYOXRHQGT-UHFFFAOYSA-N
- Formula
- C21H44O
- SMILES
- CCCCCCCCCCC(O)CCCCCCCCCC
- Molecular Weight1
- 312.58
- Other Names
-
- henicosan-11-ol
- 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).
- 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).
- 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 | 1.0853 | Relay (1.0) Calculated Property | |
| ΔfG° | -13.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.409 | Crippen Calculated Property | |
| McVol | 312.620 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Tboil | 609.85 | K | Relay (1.0) Calculated Property |
| Tc | 787.26 | K | Relay (1.0) Calculated Property |
| Tfus | 345.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.238 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.16; 1121.95] | 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 | -1.25920e+01 | |||
| Coefficient B | 2.03874e+00 | |||
| Coefficient C | -1.15220e-03 | |||
| Coefficient D | 2.48000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 463.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 575.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 676.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 765.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 845.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 916.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 978.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1032.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1080.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1121.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0097842; 0.0000359] | Pa×s | [345.15; 661.90] |
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 | -1.63471e+01 | |||
| Coefficient B | 4.04521e+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. | 345.15 | |||
| Temperature range, max. | 661.90 | |||
| η | 0.0097842 | Pa×s | 345.15 | Calculated Property |
| η | 0.0033078 | Pa×s | 380.34 | Calculated Property |
| η | 0.0013438 | Pa×s | 415.54 | Calculated Property |
| η | 0.0006284 | Pa×s | 450.73 | Calculated Property |
| η | 0.0003280 | Pa×s | 485.93 | Calculated Property |
| η | 0.0001870 | Pa×s | 521.12 | Calculated Property |
| η | 0.0001144 | Pa×s | 556.32 | Calculated Property |
| η | 0.0000742 | Pa×s | 591.51 | Calculated Property |
| η | 0.0000506 | Pa×s | 626.70 | Calculated Property |
| η | 0.0000359 | Pa×s | 661.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 11-Heneicosanol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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