- 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
- 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).
- 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 | 1.0976 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.981 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 860.49 | kPa | Joback Calculated Property |
| Inp | [2524.00; 2524.00] |
|
|
| Inp | 2524.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Tboil | 619.45 | K | Relay (1.0) Calculated Property |
| Tc | 805.62 | K | Relay (1.0) Calculated Property |
| Tfus | 322.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.98; 1177.13] | J/mol×K | [783.36; 959.70] |
|
| Cp,gas | 1067.98 | J/mol×K | 783.36 | Joback Calculated Property |
| Cp,gas | 1088.49 | J/mol×K | 812.75 | Joback Calculated Property |
| Cp,gas | 1108.01 | J/mol×K | 842.14 | Joback Calculated Property |
| Cp,gas | 1126.59 | J/mol×K | 871.53 | Joback Calculated Property |
| Cp,gas | 1144.27 | J/mol×K | 900.92 | Joback Calculated Property |
| Cp,gas | 1161.10 | J/mol×K | 930.31 | Joback Calculated Property |
| Cp,gas | 1177.13 | J/mol×K | 959.70 | Joback Calculated Property |
| η | [0.0001099; 0.0018751] | Pa×s | [407.67; 783.36] |
|
| η | 0.0018751 | Pa×s | 407.67 | Joback Calculated Property |
| η | 0.0008530 | Pa×s | 470.28 | Joback Calculated Property |
| η | 0.0004669 | Pa×s | 532.90 | Joback Calculated Property |
| η | 0.0002901 | Pa×s | 595.51 | Joback Calculated Property |
| η | 0.0001974 | Pa×s | 658.13 | Joback Calculated Property |
| η | 0.0001436 | Pa×s | 720.74 | Joback Calculated Property |
| η | 0.0001099 | Pa×s | 783.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosanol, formate.
Sources
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