- InChI
- InChI=1S/C21H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19(27)20(22,23)21(24,25)26/h2-18H2,1H3
- InChI Key
- KNCMVQBRQJKYNM-UHFFFAOYSA-N
- Formula
- C21H37F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F
)C(F)(F)F - Molecular Weight1
- 416.51
- CAS
- 959261-25-7
- Other Names
-
- Octadecyl pentafluoropropionate
- 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° | -1076.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1719.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.82 | kJ/mol | Joback Calculated Property |
| log10WS | -8.45 | Crippen Calculated Property | |
| logPoct/wat | 7.989 | Crippen Calculated Property | |
| McVol | 323.040 | ml/mol | McGowan Calculated Property |
| Pc | 877.91 | kPa | Joback Calculated Property |
| Inp | [2008.00; 2054.00] |
|
|
| Inp | 2054.00 | NIST | |
| Inp | 2011.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2011.00 | NIST | |
| I | 2097.00 | NIST | |
| Tboil | 746.06 | K | Joback Calculated Property |
| Tc | 914.00 | K | Joback Calculated Property |
| Tfus | 406.38 | K | Joback Calculated Property |
| Vc | 1.304 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1009.73; 1108.65] | J/mol×K | [746.06; 914.00] |
|
| Cp,gas | 1009.73 | J/mol×K | 746.06 | Joback Calculated Property |
| Cp,gas | 1028.45 | J/mol×K | 774.05 | Joback Calculated Property |
| Cp,gas | 1046.22 | J/mol×K | 802.04 | Joback Calculated Property |
| Cp,gas | 1063.07 | J/mol×K | 830.03 | Joback Calculated Property |
| Cp,gas | 1079.07 | J/mol×K | 858.02 | Joback Calculated Property |
| Cp,gas | 1094.24 | J/mol×K | 886.01 | Joback Calculated Property |
| Cp,gas | 1108.65 | J/mol×K | 914.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, octadecyl ester.
Sources
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