- InChI
- InChI=1S/C21H35F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-18(29)19(22,23)20(24,25)21(26,27)28/h2-17H2,1H3
- InChI Key
- JMANSDFHCFBZBM-UHFFFAOYSA-N
- Formula
- C21H35F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(F)(F)
C(F)(F)C(F)(F)F - Molecular Weight1
- 452.49
- CAS
- 959085-66-6
- Other Names
-
- Heptadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Heptadecanol, heptafluorobutyrate
- Heptadecyl perfluorobutyrate
- Heptafluorobutyric acid, heptadecyl 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.
- 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 | 0.9993 | Relay (1.0) Calculated Property | |
| ΔfG° | -1463.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2183.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.234 | Crippen Calculated Property | |
| McVol | 326.580 | ml/mol | McGowan Calculated Property |
| Pc | 842.11 | kPa | Joback Calculated Property |
| Inp | 1938.00 | NIST | |
| Tboil | 568.11 | K | Relay (1.0) Calculated Property |
| Tc | 677.95 | K | Relay (1.0) Calculated Property |
| Tfus | 273.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.249 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1026.37; 1122.43] | J/mol×K | [741.37; 907.84] | 
|
| Cp,gas | 1026.37 | J/mol×K | 741.37 | Joback Calculated Property |
| Cp,gas | 1044.61 | J/mol×K | 769.12 | Joback Calculated Property |
| Cp,gas | 1061.89 | J/mol×K | 796.86 | Joback Calculated Property |
| Cp,gas | 1078.25 | J/mol×K | 824.61 | Joback Calculated Property |
| Cp,gas | 1093.76 | J/mol×K | 852.35 | Joback Calculated Property |
| Cp,gas | 1108.47 | J/mol×K | 880.10 | Joback Calculated Property |
| Cp,gas | 1122.43 | J/mol×K | 907.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecyl heptafluorobutyrate.
Sources
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