- InChI
- InChI=1S/C19H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-36-12(35)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-11H2,1H3
- InChI Key
- FVSCXMNVWQIEAW-UHFFFAOYSA-N
- Formula
- C19H23F15O2
- SMILES
-
CCCCCCCCCCCOC(=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
- 568.36
- 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 | 0.9309 | Relay (1.0) Calculated Property | |
| ΔfG° | -3027.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3735.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.434 | Crippen Calculated Property | |
| McVol | 312.560 | ml/mol | McGowan Calculated Property |
| Pc | 798.89 | kPa | Joback Calculated Property |
| Inp | [1556.00; 1556.00] |
|
|
| Inp | 1556.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Tboil | 548.91 | K | Relay (1.0) Calculated Property |
| Tc | 653.40 | K | Relay (1.0) Calculated Property |
| Tfus | 294.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [979.05; 1059.37] | J/mol×K | [676.85; 828.78] |
|
| Cp,gas | 979.05 | J/mol×K | 676.85 | Joback Calculated Property |
| Cp,gas | 994.68 | J/mol×K | 702.17 | Joback Calculated Property |
| Cp,gas | 1009.31 | J/mol×K | 727.49 | Joback Calculated Property |
| Cp,gas | 1023.03 | J/mol×K | 752.82 | Joback Calculated Property |
| Cp,gas | 1035.90 | J/mol×K | 778.14 | Joback Calculated Property |
| Cp,gas | 1047.99 | J/mol×K | 803.46 | Joback Calculated Property |
| Cp,gas | 1059.37 | J/mol×K | 828.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, undecyl ester.
Sources
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