- InChI
- InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22
- InChI Key
- UFFSXJKVKBQEHC-UHFFFAOYSA-N
- Formula
- C8F14O3
- SMILES
-
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F
)F)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 410.06
- CAS
- 336-59-4
- Other Names
-
- Heptafluorobutanoic anhydride
- Perfluorobutyric anhydride
- Heptafluoro-n-butyric anhydride
- Butanoic acid, heptafluoro-, anhydride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -3471.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.722 | Crippen Calculated Property | |
| McVol | 157.370 | ml/mol | McGowan Calculated Property |
| Tboil | [379.50; 382.20] | K |
|
| Tboil | 382.20 | K | NIST |
| Tboil | 382.00 ± 1.00 | K | NIST |
| Tboil | 379.50 ± 0.50 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.48; 536.98] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.31800e+01 | |||
| Coefficient B | 1.60100e+00 | |||
| Coefficient C | -1.55850e-03 | |||
| Coefficient D | 5.27660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 298.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 361.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 411.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 450.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 479.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 500.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 524.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 531.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric anhydride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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