- InChI
- InChI=1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19(30)20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3
- InChI Key
- ABJHYFXBHBSPMK-UHFFFAOYSA-N
- Formula
- C22H37F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F
)C(F)(F)C(F)(F)F - Molecular Weight1
- 466.52
- CAS
- 400-57-7
- Other Names
-
- Octadecyl heptafluorobutyrate
- Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Octadecanol, heptafluorobutyrate
- Octadecyl perfluorobutyrate
- Octadecyl heptafluorobutanoate
- Heptafluorobutyric acid, octadecyl 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.
- 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 |
|---|---|---|---|
| ω | 1.0352 | Relay (1.0) Calculated Property | |
| ΔfG° | -1454.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2202.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.624 | Crippen Calculated Property | |
| McVol | 340.670 | ml/mol | McGowan Calculated Property |
| Pc | 797.08 | kPa | Joback Calculated Property |
| Inp | [2037.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2037.00 | NIST | |
| Inp | 2037.70 | NIST | |
| Inp | 2037.70 | NIST | |
| I | 2095.00 | NIST | |
| Tboil | 578.99 | K | Relay (1.0) Calculated Property |
| Tc | 687.72 | K | Relay (1.0) Calculated Property |
| Tfus | 277.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.302 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1086.72; 1185.85] | J/mol×K | [764.25; 935.69] |
|
| Cp,gas | 1086.72 | J/mol×K | 764.25 | Joback Calculated Property |
| Cp,gas | 1105.58 | J/mol×K | 792.82 | Joback Calculated Property |
| Cp,gas | 1123.42 | J/mol×K | 821.40 | Joback Calculated Property |
| Cp,gas | 1140.31 | J/mol×K | 849.97 | Joback Calculated Property |
| Cp,gas | 1156.30 | J/mol×K | 878.54 | Joback Calculated Property |
| Cp,gas | 1171.46 | J/mol×K | 907.12 | Joback Calculated Property |
| Cp,gas | 1185.85 | J/mol×K | 935.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, n-octadecyl ester.
Sources
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