- InChI
- InChI=1S/C17H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-16(21)17(18,19)20/h2-15H2,1H3
- InChI Key
- WXLYYNRKQJZZGJ-UHFFFAOYSA-N
- Formula
- C17H31F3O2
- SMILES
- CCCCCCCCCCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 324.42
- CAS
- 959010-23-2
- Other Names
-
- Pentadecyl trifluoroacetate
- 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.
- 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 | 0.8442 | Relay (... Calculated Property | |
| ΔfG° | -723.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1288.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.74 | kJ/mol | Relay (... Calculated Property |
| IE | 10.46 | eV | Relay (... Calculated Property |
| log10WS | -6.31 | Relay (... Calculated Property | |
| logPoct/wat | 6.183 | Crippen Calculated Property | |
| McVol | 263.140 | ml/mol | McGowan Calculated Property |
| Pc | 1172.83 | kPa | Joback Calculated Property |
| Inp | [1717.00; 1726.60] |
|
|
| Inp | 1717.00 | NIST | |
| Inp | 1726.60 | NIST | |
| Inp | 1726.60 | NIST | |
| Inp | 1717.00 | NIST | |
| Tboil | 542.49 | K | Relay (... Calculated Property |
| Tc | 668.20 | K | Relay (... Calculated Property |
| Tfus | 280.47 | K | Relay (... Calculated Property |
| Vc | 1.014 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.05; 850.28] | J/mol×K | [659.23; 819.00] |
|
| Cp,gas | 758.05 | J/mol×K | 659.23 | Joback Calculated Property |
| Cp,gas | 775.28 | J/mol×K | 685.86 | Joback Calculated Property |
| Cp,gas | 791.74 | J/mol×K | 712.49 | Joback Calculated Property |
| Cp,gas | 807.44 | J/mol×K | 739.11 | Joback Calculated Property |
| Cp,gas | 822.41 | J/mol×K | 765.74 | Joback Calculated Property |
| Cp,gas | 836.69 | J/mol×K | 792.37 | Joback Calculated Property |
| Cp,gas | 850.28 | J/mol×K | 819.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid, pentadecyl ester.
Sources
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