- InChI
- InChI=1S/C12H21F3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h2-10H2,1H3
- InChI Key
- VOYQYHZKXRAELV-UHFFFAOYSA-N
- Formula
- C12H21F3O2
- SMILES
- CCCCCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 254.29
- CAS
- 333-88-0
- Other Names
-
- Decyl 2,2,2-trifluoroacetate
- 1-Decanol, trifluoroacetate
- Acetic acid, trifluoro-, decyl ester
- 1-Trifluoroacetoxydecane
- Trifluoroacetic acid, decyl 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° | -765.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1132.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 4.233 | Crippen Calculated Property | |
| McVol | 192.690 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Inp | [1220.00; 1273.60] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1273.60 | NIST | |
| Inp | 1247.20 | NIST | |
| Inp | 1247.20 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1246.00 | NIST | |
| I | [1367.00; 1367.00] |
|
|
| I | 1367.00 | NIST | |
| I | 1367.00 | NIST | |
| Tboil | 544.83 | K | Joback Calculated Property |
| Tc | 702.65 | K | Joback Calculated Property |
| Tfus | 301.35 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.45; 570.18] | J/mol×K | [544.83; 702.65] |
|
| Cp,gas | 491.45 | J/mol×K | 544.83 | Joback Calculated Property |
| Cp,gas | 506.08 | J/mol×K | 571.13 | Joback Calculated Property |
| Cp,gas | 520.09 | J/mol×K | 597.44 | Joback Calculated Property |
| Cp,gas | 533.48 | J/mol×K | 623.74 | Joback Calculated Property |
| Cp,gas | 546.28 | J/mol×K | 650.04 | Joback Calculated Property |
| Cp,gas | 558.51 | J/mol×K | 676.35 | Joback Calculated Property |
| Cp,gas | 570.18 | J/mol×K | 702.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Decyl trifluoroacetate.
Sources
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