- InChI
- InChI=1S/C18H29F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15(26)16(19,20)17(21,22)18(23,24)25/h2-14H2,1H3
- InChI Key
- QIUJCCVBRUUHMI-UHFFFAOYSA-N
- Formula
- C18H29F7O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(F)(F)C(F
)(F)C(F)(F)F - Molecular Weight1
- 410.41
- CAS
- 7365-36-8
- 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° | -1488.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2058.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.21 | kJ/mol | Joback Calculated Property |
| log10WS | -7.51 | Crippen Calculated Property | |
| logPoct/wat | 7.064 | Crippen Calculated Property | |
| McVol | 284.310 | ml/mol | McGowan Calculated Property |
| Pc | 1002.71 | kPa | Joback Calculated Property |
| Inp | [1657.00; 1672.60] |
|
|
| Inp | 1668.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1672.60 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1672.60 | NIST | |
| I | [1701.00; 1701.00] |
|
|
| I | 1701.00 | NIST | |
| I | 1701.00 | NIST | |
| Tboil | 672.73 | K | Joback Calculated Property |
| Tc | 828.60 | K | Joback Calculated Property |
| Tfus | 376.17 | K | Joback Calculated Property |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.73; 938.85] | J/mol×K | [672.73; 828.60] |
|
| Cp,gas | 850.73 | J/mol×K | 672.73 | Joback Calculated Property |
| Cp,gas | 867.40 | J/mol×K | 698.71 | Joback Calculated Property |
| Cp,gas | 883.23 | J/mol×K | 724.69 | Joback Calculated Property |
| Cp,gas | 898.24 | J/mol×K | 750.66 | Joback Calculated Property |
| Cp,gas | 912.49 | J/mol×K | 776.64 | Joback Calculated Property |
| Cp,gas | 926.01 | J/mol×K | 802.62 | Joback Calculated Property |
| Cp,gas | 938.85 | J/mol×K | 828.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, n-tetradecyl ester.
Sources
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