- InChI
- InChI=1S/C6H7F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h2-3H2,1H3
- InChI Key
- NZZLJQBPSUUZOQ-UHFFFAOYSA-N
- Formula
- C6H7F5O2
- SMILES
- CCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 206.11
- Other Names
-
- Propyl pentafluoropropanoate
- 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 | 0.4197 | Relay (... Calculated Property | |
| ΔfG° | -1202.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1498.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.33 | kJ/mol | Relay (... Calculated Property |
| IE | 11.25 | eV | Relay (... Calculated Property |
| log10WS | -2.60 | Relay (... Calculated Property | |
| logPoct/wat | 2.137 | Crippen Calculated Property | |
| McVol | 111.690 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [592.00; 592.00] |
|
|
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Tboil | 362.40 | K | Relay (... Calculated Property |
| Tc | 475.75 | K | Relay (... Calculated Property |
| Tfus | 195.57 | K | Relay (... Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.22; 297.14] | J/mol×K | [402.86; 557.50] |
|
| Cp,gas | 245.22 | J/mol×K | 402.86 | Joback Calculated Property |
| Cp,gas | 255.09 | J/mol×K | 428.63 | Joback Calculated Property |
| Cp,gas | 264.44 | J/mol×K | 454.41 | Joback Calculated Property |
| Cp,gas | 273.31 | J/mol×K | 480.18 | Joback Calculated Property |
| Cp,gas | 281.70 | J/mol×K | 505.95 | Joback Calculated Property |
| Cp,gas | 289.64 | J/mol×K | 531.73 | Joback Calculated Property |
| Cp,gas | 297.14 | J/mol×K | 557.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, propyl ester.
Sources
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