- InChI
- InChI=1S/C13H23F3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12(17)13(14,15)16/h2-11H2,1H3
- InChI Key
- OSMPYUQBJFIJED-UHFFFAOYSA-N
- Formula
- C13H23F3O2
- SMILES
- CCCCCCCCCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 268.32
- CAS
- 53800-01-4
- Other Names
-
- Trifluoroacetic acid, undecyl 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.
- 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° | -756.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1153.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.623 | Crippen Calculated Property | |
| McVol | 206.780 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [1341.00; 1343.60] |
|
|
| Inp | 1341.00 | NIST | |
| Inp | 1343.60 | NIST | |
| Inp | 1343.60 | NIST | |
| Inp | 1341.00 | NIST | |
| Tboil | 567.71 | K | Joback Calculated Property |
| Tc | 725.30 | K | Joback Calculated Property |
| Tfus | 312.62 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.88; 623.71] | J/mol×K | [567.71; 725.30] |
|
| Cp,gas | 541.88 | J/mol×K | 567.71 | Joback Calculated Property |
| Cp,gas | 557.10 | J/mol×K | 593.97 | Joback Calculated Property |
| Cp,gas | 571.66 | J/mol×K | 620.24 | Joback Calculated Property |
| Cp,gas | 585.58 | J/mol×K | 646.50 | Joback Calculated Property |
| Cp,gas | 598.89 | J/mol×K | 672.77 | Joback Calculated Property |
| Cp,gas | 611.59 | J/mol×K | 699.03 | Joback Calculated Property |
| Cp,gas | 623.71 | J/mol×K | 725.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, undecyl ester.
Sources
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