- InChI
- InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
- InChI Key
- ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
- Formula
- C7HF13O2
- SMILES
-
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F
)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 364.06
- CAS
- 375-85-9
- Other Names
-
- Perfluoroheptanoic acid
- Heptanoic acid, tridecafluoro-
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- 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 | 0.6653 | Relay (1.0) Calculated Property | |
| ΔfG° | -2851.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3133.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.810 | Crippen Calculated Property | |
| McVol | 139.940 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Tboil | 435.22 | K | Relay (1.0) Calculated Property |
| Tc | 577.05 | K | Relay (1.0) Calculated Property |
| Tfus | 329.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [48.70; 61.40] | kJ/mol | [422.00; 422.00] | 
|
| ΔvapH | 61.40 ± 0.30 | kJ/mol | 422.00 | NIST |
| ΔvapH | 55.50 ± 0.30 | kJ/mol | 422.00 | NIST |
| ΔvapH | 48.70 ± 0.70 | kJ/mol | 422.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.42; 491.97] | 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 | -6.65300e+01 | |||
| Coefficient B | 1.62780e+00 | |||
| Coefficient C | -1.67360e-03 | |||
| Coefficient D | 6.04300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 265.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 374.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 410.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 437.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 455.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 485.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 491.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecafluoroheptanoic acid.
Sources
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