- InChI
- InChI=1S/C18H31F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-16(24)17(19,20)18(21,22)23/h2-15H2,1H3
- InChI Key
- SOIQTDZYLNEIHG-UHFFFAOYSA-N
- Formula
- C18H31F5O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(F)(F)C(
F)(F)F - Molecular Weight1
- 374.43
- CAS
- 959092-08-1
- Other Names
-
- Pentadecyl pentafluoropropionate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8885 | Relay (1.0) Calculated Property | |
| ΔfG° | -1101.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1734.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.818 | Crippen Calculated Property | |
| McVol | 280.770 | ml/mol | McGowan Calculated Property |
| Pc | 1049.37 | kPa | Joback Calculated Property |
| Inp | [1723.00; 1733.20] |
|
|
| Inp | 1733.20 | NIST | |
| Inp | 1723.00 | NIST | |
| Tboil | 536.45 | K | Relay (1.0) Calculated Property |
| Tc | 654.93 | K | Relay (1.0) Calculated Property |
| Tfus | 277.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.94; 924.18] | J/mol×K | [677.42; 835.92] |
|
| Cp,gas | 832.94 | J/mol×K | 677.42 | Joback Calculated Property |
| Cp,gas | 850.11 | J/mol×K | 703.84 | Joback Calculated Property |
| Cp,gas | 866.45 | J/mol×K | 730.25 | Joback Calculated Property |
| Cp,gas | 881.99 | J/mol×K | 756.67 | Joback Calculated Property |
| Cp,gas | 896.77 | J/mol×K | 783.09 | Joback Calculated Property |
| Cp,gas | 910.82 | J/mol×K | 809.50 | Joback Calculated Property |
| Cp,gas | 924.18 | J/mol×K | 835.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, pentadecyl ester.
Sources
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