- InChI
- InChI=1S/C21H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-14(37)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h2-10,13H2,1H3
- InChI Key
- GVXWEJCIBRQRKO-UHFFFAOYSA-N
- Formula
- C21H23F15O2
- SMILES
-
CCCCCCCCCCC#CCOC(=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
- 592.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -2807.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3452.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.32 | kJ/mol | Joback Calculated Property |
| log10WS | -9.82 | Crippen Calculated Property | |
| logPoct/wat | 8.438 | Crippen Calculated Property | |
| McVol | 332.140 | ml/mol | McGowan Calculated Property |
| Pc | 784.63 | kPa | Joback Calculated Property |
| Inp | 1738.00 | NIST | |
| Tboil | 731.61 | K | Joback Calculated Property |
| Tc | 895.75 | K | Joback Calculated Property |
| Tfus | 530.48 | K | Joback Calculated Property |
| Vc | 1.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1048.93; 1127.01] | J/mol×K | [731.61; 895.75] | 
|
| Cp,gas | 1048.93 | J/mol×K | 731.61 | Joback Calculated Property |
| Cp,gas | 1064.10 | J/mol×K | 758.97 | Joback Calculated Property |
| Cp,gas | 1078.29 | J/mol×K | 786.32 | Joback Calculated Property |
| Cp,gas | 1091.58 | J/mol×K | 813.68 | Joback Calculated Property |
| Cp,gas | 1104.07 | J/mol×K | 841.04 | Joback Calculated Property |
| Cp,gas | 1115.85 | J/mol×K | 868.40 | Joback Calculated Property |
| Cp,gas | 1127.01 | J/mol×K | 895.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, tridec-2-yn-1-yl ester.
Sources
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