- InChI
- InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
- InChI Key
- YPJUNDFVDDCYIH-UHFFFAOYSA-N
- Formula
- C4HF7O2
- SMILES
- O=C(O)C(F)(F)C(F)(F)C(F)(F)F
- Molecular Weight1
- 214.04
- CAS
- 375-22-4
- Other Names
-
- Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-
- Butyric acid, heptafluoro-
- Heptafluoro-1-butanoic acid
- Heptafluoro-n-butyric acid
- Heptafluorobutanoic acid
- Heptafluorobutyric acid
- Kyselina heptafluormaselna
- NSC 820
- Perfluorobutanoic acid
- Perfluorobutyric acid
- Perfluoropropanecarboxylic acid
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1904.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 87.050 | ml/mol | McGowan Calculated Property |
| Inp | 863.00 | NIST | |
| Tboil | 393.00 ± 1.00 | K | NIST |
| Tfus | 280.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.86; 253.17] | J/mol×K | [421.83; 583.11] | 
|
| Cp,gas | 214.86 | J/mol×K | 421.83 | Joback Calculated Property |
| Cp,gas | 222.81 | J/mol×K | 448.71 | Joback Calculated Property |
| Cp,gas | 230.08 | J/mol×K | 475.59 | Joback Calculated Property |
| Cp,gas | 236.72 | J/mol×K | 502.47 | Joback Calculated Property |
| Cp,gas | 242.75 | J/mol×K | 529.35 | Joback Calculated Property |
| Cp,gas | 248.22 | J/mol×K | 556.23 | Joback Calculated Property |
| Cp,gas | 253.17 | J/mol×K | 583.11 | Joback Calculated Property |
| ΔvapH | [41.00; 50.10] | kJ/mol | [368.00; 411.00] |
|
| ΔvapH | 50.10 ± 0.20 | kJ/mol | 368.00 | NIST |
| ΔvapH | 45.90 ± 0.20 | kJ/mol | 368.00 | NIST |
| ΔvapH | 41.00 ± 0.50 | kJ/mol | 368.00 | NIST |
| ΔvapH | 47.30 | kJ/mol | 373.00 | NIST |
| ΔvapH | 47.80 | kJ/mol | 411.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [393.20; 1028.00] | K | [16.00; 101.00] |
|
| Tboilr | 1028.00 | K | 16.00 | NIST |
| Tboilr | 393.20 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [303.01; 414.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.90175e+01 | |||
| Coefficient B | -5.67545e+03 | |||
| Temperature range, min. | 303.01 | |||
| Temperature range, max. | 414.08 | |||
| Pvap | 1.33 | kPa | 303.01 | Calculated Property |
| Pvap | 2.77 | kPa | 315.35 | Calculated Property |
| Pvap | 5.46 | kPa | 327.69 | Calculated Property |
| Pvap | 10.24 | kPa | 340.03 | Calculated Property |
| Pvap | 18.38 | kPa | 352.37 | Calculated Property |
| Pvap | 31.70 | kPa | 364.72 | Calculated Property |
| Pvap | 52.75 | kPa | 377.06 | Calculated Property |
| Pvap | 85.00 | kPa | 389.40 | Calculated Property |
| Pvap | 133.00 | kPa | 401.74 | Calculated Property |
| Pvap | 202.63 | kPa | 414.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, heptafluoro-.
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
- The Yaws Handbook of Vapor Pressure
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.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.