- InChI
- InChI=1S/C23H31F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-40-16(39)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-15H2,1H3
- InChI Key
- KMCGZDZWUZTAKJ-UHFFFAOYSA-N
- Formula
- C23H31F15O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=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
- 624.47
- 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 | 1.0806 | Relay (... Calculated Property | |
| ΔfG° | -2993.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3808.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 52.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.21 | kJ/mol | Relay (... Calculated Property |
| IE | 10.53 | eV | Relay (... Calculated Property |
| log10WS | -10.19 | Relay (... Calculated Property | |
| logPoct/wat | 9.995 | Crippen Calculated Property | |
| McVol | 368.920 | ml/mol | McGowan Calculated Property |
| Pc | 650.11 | kPa | Joback Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 593.15 | K | Relay (... Calculated Property |
| Tc | 688.09 | K | Relay (... Calculated Property |
| Tfus | 308.57 | K | Relay (... Calculated Property |
| Vc | 1.448 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1212.50; 1306.17] | J/mol×K | [768.37; 945.50] |
|
| Cp,gas | 1212.50 | J/mol×K | 768.37 | Joback Calculated Property |
| Cp,gas | 1230.60 | J/mol×K | 797.89 | Joback Calculated Property |
| Cp,gas | 1247.55 | J/mol×K | 827.41 | Joback Calculated Property |
| Cp,gas | 1263.46 | J/mol×K | 856.94 | Joback Calculated Property |
| Cp,gas | 1278.45 | J/mol×K | 886.46 | Joback Calculated Property |
| Cp,gas | 1292.65 | J/mol×K | 915.98 | Joback Calculated Property |
| Cp,gas | 1306.17 | J/mol×K | 945.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, pentadecyl ester.
Sources
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