- InChI
- InChI=1S/C14H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17/h2-12H2,1H3
- InChI Key
- RXTXOEGLTCFHGU-UHFFFAOYSA-N
- Formula
- C14H25F3O2
- SMILES
- CCCCCCCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 282.34
- CAS
- 6222-00-0
- Other Names
-
- Dodecyl trifluoroacetate
- Trifluoroacetic acid, dodecyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -748.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1174.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 5.013 | Crippen Calculated Property | |
| McVol | 220.870 | ml/mol | McGowan Calculated Property |
| Pc | 1443.54 | kPa | Joback Calculated Property |
| Inp | [1418.00; 1439.70] |
|
|
| Inp | 1418.00 | NIST | |
| Inp | 1421.00 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 1439.70 | NIST | |
| I | 1555.00 | NIST | |
| Tboil | 590.59 | K | Joback Calculated Property |
| Tc | 748.20 | K | Joback Calculated Property |
| Tfus | 323.89 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.85; 678.53] | J/mol×K | [590.59; 748.20] |
|
| Cp,gas | 593.85 | J/mol×K | 590.59 | Joback Calculated Property |
| Cp,gas | 609.61 | J/mol×K | 616.86 | Joback Calculated Property |
| Cp,gas | 624.68 | J/mol×K | 643.13 | Joback Calculated Property |
| Cp,gas | 639.09 | J/mol×K | 669.39 | Joback Calculated Property |
| Cp,gas | 652.85 | J/mol×K | 695.66 | Joback Calculated Property |
| Cp,gas | 665.99 | J/mol×K | 721.93 | Joback Calculated Property |
| Cp,gas | 678.53 | J/mol×K | 748.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, dodecyl ester.
Sources
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