- InChI
- InChI=1S/C7H7F7O2/c1-2-3-16-4(15)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3
- InChI Key
- BBVCHFOOSHSLGN-UHFFFAOYSA-N
- Formula
- C7H7F7O2
- SMILES
-
CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)
F - Molecular Weight1
- 256.12
- Other Names
-
- Propyl heptafluorobutanoate
- 2,2,3,3,4,4,4-Heptafluoro-butyric acid propyl ester
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 | 0.4656 | Relay (1.0) Calculated Property | |
| ΔfG° | -1581.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1918.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.773 | Crippen Calculated Property | |
| McVol | 129.320 | ml/mol | McGowan Calculated Property |
| Pc | 2263.26 | kPa | Joback Calculated Property |
| Inp | [642.00; 671.00] |
|
|
| Inp | 642.00 | NIST | |
| Inp | 642.40 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 642.00 | NIST | |
| Tboil | 377.71 | K | Relay (1.0) Calculated Property |
| Tc | 491.62 | K | Relay (1.0) Calculated Property |
| Tfus | 189.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.12; 359.97] | J/mol×K | [421.05; 569.35] |
|
| Cp,gas | 303.12 | J/mol×K | 421.05 | Joback Calculated Property |
| Cp,gas | 314.06 | J/mol×K | 445.77 | Joback Calculated Property |
| Cp,gas | 324.38 | J/mol×K | 470.48 | Joback Calculated Property |
| Cp,gas | 334.11 | J/mol×K | 495.20 | Joback Calculated Property |
| Cp,gas | 343.27 | J/mol×K | 519.92 | Joback Calculated Property |
| Cp,gas | 351.88 | J/mol×K | 544.64 | Joback Calculated Property |
| Cp,gas | 359.97 | J/mol×K | 569.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, propyl ester.
Sources
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