- InChI
- InChI=1S/C11H15F7O2/c1-2-3-4-5-6-7-20-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3
- InChI Key
- DUJUFOWMNOQMBF-UHFFFAOYSA-N
- Formula
- C11H15F7O2
- SMILES
-
CCCCCCCOC(=O)C(F)(F)C(F)(F)C(F
)(F)F - Molecular Weight1
- 312.22
- CAS
- 866-19-3
- Other Names
-
- Heptyl heptafluorobutanoate
- Butanoic acid, heptafluoro, heptyl ester
- Heptyl heptafluorobutyrate
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -1547.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1914.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.333 | Crippen Calculated Property | |
| McVol | 185.680 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [1010.00; 1038.80] |
|
|
| Inp | 1017.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1038.80 | NIST | |
| I | [1016.00; 1025.00] |
|
|
| I | 1025.00 | NIST | |
| I | 1016.00 | NIST | |
| Tboil | 512.57 | K | Joback Calculated Property |
| Tc | 660.66 | K | Joback Calculated Property |
| Tfus | 297.28 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.99; 551.89] | J/mol×K | [512.57; 660.66] |
|
| Cp,gas | 480.99 | J/mol×K | 512.57 | Joback Calculated Property |
| Cp,gas | 494.46 | J/mol×K | 537.25 | Joback Calculated Property |
| Cp,gas | 507.23 | J/mol×K | 561.93 | Joback Calculated Property |
| Cp,gas | 519.34 | J/mol×K | 586.62 | Joback Calculated Property |
| Cp,gas | 530.79 | J/mol×K | 611.30 | Joback Calculated Property |
| Cp,gas | 541.64 | J/mol×K | 635.98 | Joback Calculated Property |
| Cp,gas | 551.89 | J/mol×K | 660.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, heptyl ester.
Sources
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