- InChI
- InChI=1S/C18H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17(22)18(19,20)21/h2-16H2,1H3
- InChI Key
- WAGHSYZLKZJUQC-UHFFFAOYSA-N
- Formula
- C18H33F3O2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 338.45
- CAS
- 6222-03-3
- Other Names
-
- Hexadecyl trifluoroacetate
- Hexadecyl 2,2,2-trifluoroacetate
- 1-Hexadecanol, trifluoroacetate
- Acetic acid, trifluoro-, hexadecyl ester
- 1-Trifluoroacetoxyhexadecane
- Trifluoroacetic acid, hexadecyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.8797 | Relay (1.0) Calculated Property | |
| ΔfG° | -714.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1307.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.573 | Crippen Calculated Property | |
| McVol | 277.230 | ml/mol | McGowan Calculated Property |
| Pc | 1099.35 | kPa | Joback Calculated Property |
| Inp | [1805.00; 1816.40] |
|
|
| Inp | 1816.40 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Inp | 1813.40 | NIST | |
| Inp | 1813.40 | NIST | |
| I | 1929.00 | NIST | |
| Tboil | 553.94 | K | Relay (1.0) Calculated Property |
| Tc | 680.43 | K | Relay (1.0) Calculated Property |
| Tfus | 285.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.069 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.26; 909.86] | J/mol×K | [682.11; 843.48] |
|
| Cp,gas | 815.26 | J/mol×K | 682.11 | Joback Calculated Property |
| Cp,gas | 832.97 | J/mol×K | 709.00 | Joback Calculated Property |
| Cp,gas | 849.87 | J/mol×K | 735.90 | Joback Calculated Property |
| Cp,gas | 865.98 | J/mol×K | 762.79 | Joback Calculated Property |
| Cp,gas | 881.33 | J/mol×K | 789.69 | Joback Calculated Property |
| Cp,gas | 895.94 | J/mol×K | 816.58 | Joback Calculated Property |
| Cp,gas | 909.86 | J/mol×K | 843.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetoxy hexadecane.
Sources
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