- InChI
- InChI=1S/C7H9F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-4H2,1H3
- InChI Key
- DUTTZBRMOIAYKM-UHFFFAOYSA-N
- Formula
- C7H9F5O2
- SMILES
- CCCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 220.14
- CAS
- 680-28-4
- Other Names
-
- Butyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 |
|---|---|---|---|
| ω | 0.4624 | Relay (1.0) Calculated Property | |
| ΔfG° | -1194.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1514.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.527 | Crippen Calculated Property | |
| McVol | 125.780 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | [685.00; 708.00] |
|
|
| Inp | 685.00 | NIST | |
| Inp | 685.30 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 685.00 | NIST | |
| I | [760.00; 760.00] |
|
|
| I | 760.00 | NIST | |
| I | 760.00 | NIST | |
| Tboil | 377.68 | K | Relay (1.0) Calculated Property |
| Tc | 496.87 | K | Relay (1.0) Calculated Property |
| Tfus | 195.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.60; 341.60] | J/mol×K | [425.74; 580.14] |
|
| Cp,gas | 284.60 | J/mol×K | 425.74 | Joback Calculated Property |
| Cp,gas | 295.39 | J/mol×K | 451.47 | Joback Calculated Property |
| Cp,gas | 305.64 | J/mol×K | 477.21 | Joback Calculated Property |
| Cp,gas | 315.37 | J/mol×K | 502.94 | Joback Calculated Property |
| Cp,gas | 324.59 | J/mol×K | 528.67 | Joback Calculated Property |
| Cp,gas | 333.33 | J/mol×K | 554.40 | Joback Calculated Property |
| Cp,gas | 341.60 | J/mol×K | 580.14 | Joback Calculated Property |
| ΔvapH | 38.60 | kJ/mol | 371.50 | NIST |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, butyl ester.
Sources
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