- InChI
- InChI=1S/C19H33F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17(25)18(20,21)19(22,23)24/h2-16H2,1H3
- InChI Key
- MKXNHVLXIYBJIK-UHFFFAOYSA-N
- Formula
- C19H33F5O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(F)(F)C
(F)(F)F - Molecular Weight1
- 388.46
- CAS
- 6222-07-7
- Other Names
-
- Hexadecyl pentafluoropropionate
- Hexadecyl 2,2,3,3,3-pentafluoropropanoate
- 1-Hexadecanol, pentafluoropropionate
- 1-Hexadecanol, PFP
- 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° | -1093.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1678.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.37 | kJ/mol | Joback Calculated Property |
| log10WS | -7.61 | Crippen Calculated Property | |
| logPoct/wat | 7.209 | Crippen Calculated Property | |
| McVol | 294.860 | ml/mol | McGowan Calculated Property |
| Pc | 987.02 | kPa | Joback Calculated Property |
| Inp | [1817.90; 1859.00] |
|
|
| Inp | 1859.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Inp | 1817.90 | NIST | |
| Inp | 1818.00 | NIST | |
| Inp | 1817.90 | NIST | |
| Inp | 1859.00 | NIST | |
| I | [1894.00; 1894.00] |
|
|
| I | 1894.00 | NIST | |
| I | 1894.00 | NIST | |
| Tboil | 700.30 | K | Joback Calculated Property |
| Tc | 861.31 | K | Joback Calculated Property |
| Tfus | 383.84 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [890.89; 984.57] | J/mol×K | [700.30; 861.31] |
|
| Cp,gas | 890.89 | J/mol×K | 700.30 | Joback Calculated Property |
| Cp,gas | 908.54 | J/mol×K | 727.14 | Joback Calculated Property |
| Cp,gas | 925.33 | J/mol×K | 753.97 | Joback Calculated Property |
| Cp,gas | 941.29 | J/mol×K | 780.81 | Joback Calculated Property |
| Cp,gas | 956.46 | J/mol×K | 807.64 | Joback Calculated Property |
| Cp,gas | 970.87 | J/mol×K | 834.48 | Joback Calculated Property |
| Cp,gas | 984.57 | J/mol×K | 861.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, hexadecyl ester.
Sources
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