- InChI
- InChI=1S/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3
- InChI Key
- FIPPFBHCBUDBRR-UHFFFAOYSA-N
- Formula
- C21H44O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCO
- Molecular Weight1
- 312.57
- CAS
- 15594-90-8
- Other Names
-
- Henicosan-1-ol
- Heneicosyl alcohol
- Heneicosanol
- henicosanol
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -10.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.02 | kJ/mol | Joback Calculated Property |
| log10WS | -7.88 | Crippen Calculated Property | |
| logPoct/wat | 7.411 | Crippen Calculated Property | |
| McVol | 312.620 | ml/mol | McGowan Calculated Property |
| Pc | 1012.95 | kPa | Joback Calculated Property |
| Inp | [2365.00; 2401.70] |
|
|
| Inp | 2401.70 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2365.00 | NIST | |
| Inp | 2401.70 | NIST | |
| Inp | 2365.00 | NIST | |
| I | 2995.00 | NIST | |
| Tboil | 772.06 | K | Joback Calculated Property |
| Tc | 945.53 | K | Joback Calculated Property |
| Tfus | 387.25 | K | Joback Calculated Property |
| Vc | 1.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.02; 1094.01] | J/mol×K | [772.06; 945.53] |
|
| Cp,gas | 988.02 | J/mol×K | 772.06 | Joback Calculated Property |
| Cp,gas | 1007.87 | J/mol×K | 800.97 | Joback Calculated Property |
| Cp,gas | 1026.80 | J/mol×K | 829.88 | Joback Calculated Property |
| Cp,gas | 1044.84 | J/mol×K | 858.79 | Joback Calculated Property |
| Cp,gas | 1062.03 | J/mol×K | 887.70 | Joback Calculated Property |
| Cp,gas | 1078.41 | J/mol×K | 916.61 | Joback Calculated Property |
| Cp,gas | 1094.01 | J/mol×K | 945.53 | Joback Calculated Property |
| η | [0.0000163; 0.0028376] | Pa×s | [387.25; 772.06] |
|
| η | 0.0028376 | Pa×s | 387.25 | Joback Calculated Property |
| η | 0.0006522 | Pa×s | 451.38 | Joback Calculated Property |
| η | 0.0002161 | Pa×s | 515.52 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 579.65 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 643.79 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 707.92 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 772.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heneicosanol.
Sources
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