- InChI
- InChI=1S/C8H9F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3
- InChI Key
- YDXXJZKOOOJVEE-UHFFFAOYSA-N
- Formula
- C8H9F7O2
- SMILES
-
CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F
)F - Molecular Weight1
- 270.14
- CAS
- 1559-07-5
- Other Names
-
- Heptafluorobutyric acid, n-butyl ester
- Butyl heptafluorobutyrate
- Butyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Butanol, heptafluorobutyrate
- Butyl perfluorobutyrate
- 2,2,3,3,4,4,4-Heptafluoro-butyric acid butyl ester
- Butanoic acid, heptafluoro, butyl ester
- Butyl heptafluorobutanoate
- Heptafluorobutyric acid, butyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1572.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1852.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.163 | Crippen Calculated Property | |
| McVol | 143.410 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [734.60; 777.30] |
|
|
| Inp | 735.00 | NIST | |
| Inp | 734.60 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 777.30 | NIST | |
| I | 730.00 | NIST | |
| Tboil | 443.93 | K | Joback Calculated Property |
| Tc | 592.16 | K | Joback Calculated Property |
| Tfus | 263.47 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.85; 405.74] | J/mol×K | [443.93; 592.16] |
|
| Cp,gas | 344.85 | J/mol×K | 443.93 | Joback Calculated Property |
| Cp,gas | 356.52 | J/mol×K | 468.64 | Joback Calculated Property |
| Cp,gas | 367.55 | J/mol×K | 493.34 | Joback Calculated Property |
| Cp,gas | 377.96 | J/mol×K | 518.05 | Joback Calculated Property |
| Cp,gas | 387.78 | J/mol×K | 542.75 | Joback Calculated Property |
| Cp,gas | 397.03 | J/mol×K | 567.46 | Joback Calculated Property |
| Cp,gas | 405.74 | J/mol×K | 592.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, heptafluoro-, butyl ester.
Sources
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