- InChI
- InChI=1S/C17H29F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15(23)16(18,19)17(20,21)22/h2-14H2,1H3
- InChI Key
- JOQINMMRCSNJTD-UHFFFAOYSA-N
- Formula
- C17H29F5O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(F)(F)C(F
)(F)F - Molecular Weight1
- 360.40
- CAS
- 6222-06-6
- 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 | 0.8526 | Relay (1.0) Calculated Property | |
| ΔfG° | -1110.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1714.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.428 | Crippen Calculated Property | |
| McVol | 266.680 | ml/mol | McGowan Calculated Property |
| Pc | 1117.81 | kPa | Joback Calculated Property |
| Inp | [1627.00; 1668.00] |
|
|
| Inp | 1668.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Inp | 1639.10 | NIST | |
| I | [1701.00; 1701.00] |
|
|
| I | 1701.00 | NIST | |
| I | 1701.00 | NIST | |
| Tboil | 524.71 | K | Relay (1.0) Calculated Property |
| Tc | 643.09 | K | Relay (1.0) Calculated Property |
| Tfus | 271.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.020 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.07; 864.93] | J/mol×K | [654.54; 811.07] |
|
| Cp,gas | 776.07 | J/mol×K | 654.54 | Joback Calculated Property |
| Cp,gas | 792.77 | J/mol×K | 680.63 | Joback Calculated Property |
| Cp,gas | 808.67 | J/mol×K | 706.72 | Joback Calculated Property |
| Cp,gas | 823.81 | J/mol×K | 732.81 | Joback Calculated Property |
| Cp,gas | 838.21 | J/mol×K | 758.90 | Joback Calculated Property |
| Cp,gas | 851.90 | J/mol×K | 784.98 | Joback Calculated Property |
| Cp,gas | 864.93 | J/mol×K | 811.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, tetradecyl ester.
Sources
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