- 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).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -1638.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1789.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.32 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 87.050 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | [863.00; 863.00] |
|
|
| Inp | 863.00 | NIST | |
| Inp | 863.00 | NIST | |
| Tboil | 393.00 ± 1.00 | K | NIST |
| Tc | 568.58 | K | Joback Calculated Property |
| Tfus | 256.98 | K | Joback Calculated Property |
| Vc | 0.378 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.91; 247.82] | J/mol×K | [422.17; 568.58] |
|
| Cp,gas | 212.91 | J/mol×K | 422.17 | Joback Calculated Property |
| Cp,gas | 219.97 | J/mol×K | 446.57 | Joback Calculated Property |
| Cp,gas | 226.49 | J/mol×K | 470.97 | Joback Calculated Property |
| Cp,gas | 232.52 | J/mol×K | 495.38 | Joback Calculated Property |
| Cp,gas | 238.06 | J/mol×K | 519.78 | Joback Calculated Property |
| Cp,gas | 243.15 | J/mol×K | 544.18 | Joback Calculated Property |
| Cp,gas | 247.82 | J/mol×K | 568.58 | 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 Yaw...
|
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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