- InChI
- InChI=1S/C20H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18(26)19(21,22)20(23,24)25/h2-17H2,1H3
- InChI Key
- YUZPMKBRUISFHZ-UHFFFAOYSA-N
- Formula
- C20H35F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(F)(F)
C(F)(F)F - Molecular Weight1
- 402.48
- CAS
- 959218-78-1
- Other Names
-
- Heptadecyl 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 | 0.9601 | Relay (1.0) Calculated Property | |
| ΔfG° | -1084.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1773.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.599 | Crippen Calculated Property | |
| McVol | 308.950 | ml/mol | McGowan Calculated Property |
| Pc | 930.07 | kPa | Joback Calculated Property |
| Inp | [1909.00; 1912.70] |
|
|
| Inp | 1912.70 | NIST | |
| Inp | 1909.00 | NIST | |
| Tboil | 559.16 | K | Relay (1.0) Calculated Property |
| Tc | 677.49 | K | Relay (1.0) Calculated Property |
| Tfus | 286.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.182 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [949.84; 1046.06] | J/mol×K | [723.18; 887.32] |
|
| Cp,gas | 949.84 | J/mol×K | 723.18 | Joback Calculated Property |
| Cp,gas | 968.01 | J/mol×K | 750.54 | Joback Calculated Property |
| Cp,gas | 985.27 | J/mol×K | 777.89 | Joback Calculated Property |
| Cp,gas | 1001.67 | J/mol×K | 805.25 | Joback Calculated Property |
| Cp,gas | 1017.24 | J/mol×K | 832.61 | Joback Calculated Property |
| Cp,gas | 1032.02 | J/mol×K | 859.96 | Joback Calculated Property |
| Cp,gas | 1046.06 | J/mol×K | 887.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, heptadecyl ester.
Sources
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