- InChI
- InChI=1S/C8H9F7O2/c1-4(2)3-17-5(16)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3
- InChI Key
- PTTNLWHRSGDGJX-UHFFFAOYSA-N
- Formula
- C8H9F7O2
- SMILES
-
CC(C)COC(=O)C(F)(F)C(F)(F)C(F)
(F)F - Molecular Weight1
- 270.14
- CAS
- 49669-71-8
- Other Names
-
- Heptafluorobutyric acid, isobutyl ester
- 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.
- 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° | -1575.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1857.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 3.018 | Crippen Calculated Property | |
| McVol | 143.410 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Inp | 711.00 | NIST | |
| Tboil | 443.49 | K | Joback Calculated Property |
| Tc | 594.62 | K | Joback Calculated Property |
| Tfus | 248.47 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.91; 407.18] | J/mol×K | [443.49; 594.62] | 
|
| Cp,gas | 344.91 | J/mol×K | 443.49 | Joback Calculated Property |
| Cp,gas | 356.88 | J/mol×K | 468.68 | Joback Calculated Property |
| Cp,gas | 368.17 | J/mol×K | 493.87 | Joback Calculated Property |
| Cp,gas | 378.83 | J/mol×K | 519.06 | Joback Calculated Property |
| Cp,gas | 388.86 | J/mol×K | 544.24 | Joback Calculated Property |
| Cp,gas | 398.30 | J/mol×K | 569.43 | Joback Calculated Property |
| Cp,gas | 407.18 | J/mol×K | 594.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, 2-methylpropyl ester.
Sources
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