- InChI
- InChI=1S/C17H19F15O2/c1-2-3-4-5-6-7-8-9-34-10(33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-9H2,1H3
- InChI Key
- OAJJOXRIFLVFSZ-UHFFFAOYSA-N
- Formula
- C17H19F15O2
- SMILES
-
CCCCCCCCCOC(=O)C(F)(F)C(F)(F)C
(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F )(F)F - Molecular Weight1
- 540.31
- 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 | 0.8568 | Relay (1.0) Calculated Property | |
| ΔfG° | -3043.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3694.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.654 | Crippen Calculated Property | |
| McVol | 284.380 | ml/mol | McGowan Calculated Property |
| Pc | 893.20 | kPa | Joback Calculated Property |
| Inp | [1377.00; 1377.00] |
|
|
| Inp | 1377.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Tboil | 525.66 | K | Relay (1.0) Calculated Property |
| Tc | 635.27 | K | Relay (1.0) Calculated Property |
| Tfus | 286.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.131 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [867.33; 943.14] | J/mol×K | [631.09; 774.91] |
|
| Cp,gas | 867.33 | J/mol×K | 631.09 | Joback Calculated Property |
| Cp,gas | 882.11 | J/mol×K | 655.06 | Joback Calculated Property |
| Cp,gas | 895.95 | J/mol×K | 679.03 | Joback Calculated Property |
| Cp,gas | 908.92 | J/mol×K | 703.00 | Joback Calculated Property |
| Cp,gas | 921.07 | J/mol×K | 726.97 | Joback Calculated Property |
| Cp,gas | 932.46 | J/mol×K | 750.94 | Joback Calculated Property |
| Cp,gas | 943.14 | J/mol×K | 774.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, nonyl ester.
Sources
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