- InChI
- InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3
- InChI Key
- JELHWUPDJFSSDO-UHFFFAOYSA-N
- Formula
- C22H41F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C(F)
(F)F - Molecular Weight1
- 394.55
- Other Names
-
- Eicosyl 2,2,2-trifluoroacetate
- 1-Eicosanol, trifluoroacetate
- 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° | -681.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1339.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.98 | kJ/mol | Joback Calculated Property |
| log10WS | -8.56 | Crippen Calculated Property | |
| logPoct/wat | 8.134 | Crippen Calculated Property | |
| McVol | 333.590 | ml/mol | McGowan Calculated Property |
| Pc | 865.05 | kPa | Joback Calculated Property |
| Inp | [2201.00; 2201.00] |
|
|
| Inp | 2201.00 | NIST | |
| Inp | 2201.00 | NIST | |
| Tboil | 773.63 | K | Joback Calculated Property |
| Tc | 947.38 | K | Joback Calculated Property |
| Tfus | 414.05 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1054.40; 1158.99] | J/mol×K | [773.63; 947.38] |
|
| Cp,gas | 1054.40 | J/mol×K | 773.63 | Joback Calculated Property |
| Cp,gas | 1074.22 | J/mol×K | 802.59 | Joback Calculated Property |
| Cp,gas | 1093.03 | J/mol×K | 831.55 | Joback Calculated Property |
| Cp,gas | 1110.87 | J/mol×K | 860.51 | Joback Calculated Property |
| Cp,gas | 1127.78 | J/mol×K | 889.47 | Joback Calculated Property |
| Cp,gas | 1143.81 | J/mol×K | 918.43 | Joback Calculated Property |
| Cp,gas | 1158.99 | J/mol×K | 947.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eicosyl trifluoroacetate.
Sources
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