- InChI
- InChI=1S/C19H31F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-16(27)17(20,21)18(22,23)19(24,25)26/h2-15H2,1H3
- InChI Key
- LSNYOOKRVAXMSQ-UHFFFAOYSA-N
- Formula
- C19H31F7O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 424.44
- CAS
- 959261-23-5
- Other Names
-
- Pentadecyl 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.
- 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° | -1479.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2079.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.44 | kJ/mol | Joback Calculated Property |
| log10WS | -7.93 | Crippen Calculated Property | |
| logPoct/wat | 7.454 | Crippen Calculated Property | |
| McVol | 298.400 | ml/mol | McGowan Calculated Property |
| Pc | 944.42 | kPa | Joback Calculated Property |
| Inp | [1753.00; 1764.40] |
|
|
| Inp | 1753.00 | NIST | |
| Inp | 1764.40 | NIST | |
| Tboil | 695.61 | K | Joback Calculated Property |
| Tc | 854.36 | K | Joback Calculated Property |
| Tfus | 387.44 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.32; 998.92] | J/mol×K | [695.61; 854.36] |
|
| Cp,gas | 908.32 | J/mol×K | 695.61 | Joback Calculated Property |
| Cp,gas | 925.47 | J/mol×K | 722.07 | Joback Calculated Property |
| Cp,gas | 941.75 | J/mol×K | 748.53 | Joback Calculated Property |
| Cp,gas | 957.19 | J/mol×K | 774.99 | Joback Calculated Property |
| Cp,gas | 971.83 | J/mol×K | 801.45 | Joback Calculated Property |
| Cp,gas | 985.73 | J/mol×K | 827.90 | Joback Calculated Property |
| Cp,gas | 998.92 | J/mol×K | 854.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, pentadecyl ester.
Sources
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