- InChI
- InChI=1S/C15H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-13H2,1H3
- InChI Key
- DKWJQENYIDPCEX-UHFFFAOYSA-N
- Formula
- C15H27F3O2
- SMILES
- CCCCCCCCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 296.37
- CAS
- 53800-02-5
- Other Names
-
- Tridecyl trifluoroacetate
- Tridecyl 2,2,2-trifluoroacetate
- 1-Tridecanol, trifluoroacetate
- Trifluoroacetic acid, tridecyl 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.
- 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 | 0.7728 | Relay (1.0) Calculated Property | |
| ΔfG° | -740.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1247.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.403 | Crippen Calculated Property | |
| McVol | 234.960 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Inp | [1525.00; 1527.50] |
|
|
| Inp | 1525.00 | NIST | |
| Inp | 1527.50 | NIST | |
| Inp | 1525.00 | NIST | |
| Tboil | 518.20 | K | Relay (1.0) Calculated Property |
| Tc | 642.74 | K | Relay (1.0) Calculated Property |
| Tfus | 269.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.26; 734.58] | J/mol×K | [613.47; 771.41] |
|
| Cp,gas | 647.26 | J/mol×K | 613.47 | Joback Calculated Property |
| Cp,gas | 663.52 | J/mol×K | 639.79 | Joback Calculated Property |
| Cp,gas | 679.08 | J/mol×K | 666.12 | Joback Calculated Property |
| Cp,gas | 693.94 | J/mol×K | 692.44 | Joback Calculated Property |
| Cp,gas | 708.13 | J/mol×K | 718.76 | Joback Calculated Property |
| Cp,gas | 721.67 | J/mol×K | 745.09 | Joback Calculated Property |
| Cp,gas | 734.58 | J/mol×K | 771.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid,n-tridecyl ester.
Sources
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