- InChI
- InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24/h23H,2-22H2,1H3
- InChI Key
- YOBPFSBRTYQJGQ-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOC=O
- Molecular Weight1
- 354.61
- CAS
- 15155-62-1
- Other Names
-
- Docosanyl formate
- 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.
- 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° | -61.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.92 | kJ/mol | Joback Calculated Property |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 7.981 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 881.04 | kPa | Joback Calculated Property |
| Inp | [2524.00; 2524.00] |
|
|
| Inp | 2524.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Tboil | 796.72 | K | Joback Calculated Property |
| Tc | 975.75 | K | Joback Calculated Property |
| Tfus | 413.20 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1091.86; 1202.83] | J/mol×K | [796.72; 975.75] |
|
| Cp,gas | 1091.86 | J/mol×K | 796.72 | Joback Calculated Property |
| Cp,gas | 1112.91 | J/mol×K | 826.56 | Joback Calculated Property |
| Cp,gas | 1132.90 | J/mol×K | 856.40 | Joback Calculated Property |
| Cp,gas | 1151.85 | J/mol×K | 886.23 | Joback Calculated Property |
| Cp,gas | 1169.80 | J/mol×K | 916.07 | Joback Calculated Property |
| Cp,gas | 1186.78 | J/mol×K | 945.91 | Joback Calculated Property |
| Cp,gas | 1202.83 | J/mol×K | 975.75 | Joback Calculated Property |
| η | [0.0000541; 0.0013966] | Pa×s | [413.20; 796.72] |
|
| η | 0.0013966 | Pa×s | 413.20 | Joback Calculated Property |
| η | 0.0005650 | Pa×s | 477.12 | Joback Calculated Property |
| η | 0.0002831 | Pa×s | 541.04 | Joback Calculated Property |
| η | 0.0001642 | Pa×s | 604.96 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 668.88 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 732.80 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 796.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosanol, formate.
Sources
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