- InChI
- InChI=1S/C20H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19(24)20(21,22)23/h2-18H2,1H3
- InChI Key
- YZVKTRPQHJKFOD-UHFFFAOYSA-N
- Formula
- C20H37F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F
)F - Molecular Weight1
- 366.50
- CAS
- 79392-43-1
- Other Names
-
- Octadecyl 2,2,2-trifluoroacetate
- 1-Octadecanol, trifluoroacetate
- Trifluoroacetic acid, n-octadecyl ester
- Acetic acid, trifluoro-, octadecyl ester
- Trifluoroacetic acid, octadecyl 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 | 0.9501 | Relay (1.0) Calculated Property | |
| ΔfG° | -697.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1347.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.353 | Crippen Calculated Property | |
| McVol | 305.410 | ml/mol | McGowan Calculated Property |
| Pc | 971.70 | kPa | Joback Calculated Property |
| Inp | [2001.00; 2008.00] |
|
|
| Inp | 2001.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2006.30 | NIST | |
| Inp | 2006.30 | NIST | |
| Inp | 2001.00 | NIST | |
| I | 2121.00 | NIST | |
| Tboil | 575.32 | K | Relay (1.0) Calculated Property |
| Tc | 703.66 | K | Relay (1.0) Calculated Property |
| Tfus | 294.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.179 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.92; 1032.32] | J/mol×K | [727.87; 894.11] |
|
| Cp,gas | 932.92 | J/mol×K | 727.87 | Joback Calculated Property |
| Cp,gas | 951.62 | J/mol×K | 755.58 | Joback Calculated Property |
| Cp,gas | 969.43 | J/mol×K | 783.28 | Joback Calculated Property |
| Cp,gas | 986.37 | J/mol×K | 810.99 | Joback Calculated Property |
| Cp,gas | 1002.48 | J/mol×K | 838.70 | Joback Calculated Property |
| Cp,gas | 1017.78 | J/mol×K | 866.40 | Joback Calculated Property |
| Cp,gas | 1032.32 | J/mol×K | 894.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecyl trifluoroacetate.
Sources
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