- InChI
- InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
- InChI Key
- MRPUVAKBXDBGJQ-UHFFFAOYSA-N
- Formula
- C5H3F7O2
- SMILES
- COC(=O)C(F)(F)C(F)(F)C(F)(F)F
- Molecular Weight1
- 228.06
- CAS
- 356-24-1
- Other Names
-
- Butyric acid, heptafluoro-, methyl ester
- Heptafluorobutyric acid methyl ester
- Methyl heptafluorobutyrate
- Methyl perfluorobutyrate
- Methyl heptafluorobutanoate
- Heptafluorobutanoic acid, methyl ester
- 2,2,3,3,4,4,4-Heptafluoro-butyric acid methyl ester
- 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 | 0.3837 | Relay (1.0) Calculated Property | |
| ΔfG° | -1597.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1871.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.992 | Crippen Calculated Property | |
| McVol | 101.140 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | 483.00 | NIST | |
| Tboil | 343.53 | K | Relay (1.0) Calculated Property |
| Tc | 472.05 | K | Relay (1.0) Calculated Property |
| Tfus | 197.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.73; 273.27] | J/mol×K | [375.29; 523.36] | 
|
| Cp,gas | 225.73 | J/mol×K | 375.29 | Joback Calculated Property |
| Cp,gas | 234.98 | J/mol×K | 399.97 | Joback Calculated Property |
| Cp,gas | 243.68 | J/mol×K | 424.65 | Joback Calculated Property |
| Cp,gas | 251.83 | J/mol×K | 449.33 | Joback Calculated Property |
| Cp,gas | 259.47 | J/mol×K | 474.00 | Joback Calculated Property |
| Cp,gas | 266.61 | J/mol×K | 498.68 | Joback Calculated Property |
| Cp,gas | 273.27 | J/mol×K | 523.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, heptafluoro-, methyl ester.
Sources
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