- InChI
- InChI=1S/C23H29F3O4/c1-12(27)16-6-7-17-15-5-4-13-10-14(28)8-9-21(13,2)19(15)18(11-22(16,17)3)30-20(29)23(24,25)26/h10,15-19H,4-9,11H2,1-3H3/t15?,16-,17?,18-,19?,21+,22-/m0/s1
- InChI Key
- FNZBZSOSILSBNO-SYAUZACASA-N
- Formula
- C23H29F3O4
- SMILES
-
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(
C)C3C(OC(=O)C(F)(F)F)CC12C - Molecular Weight1
- 426.47
- 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 | 0.5928 | Relay (... Calculated Property | |
| ΔfG° | -755.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1363.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.83 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -4.88 | Relay (... Calculated Property | |
| logPoct/wat | 4.808 | Crippen Calculated Property | |
| McVol | 303.080 | ml/mol | McGowan Calculated Property |
| Pc | 1331.01 | kPa | Joback Calculated Property |
| Inp | 2550.00 | NIST | |
| Tboil | 668.53 | K | Relay (... Calculated Property |
| Tc | 917.47 | K | Relay (... Calculated Property |
| Tfus | 404.21 | K | Relay (... Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.95; 1294.18] | J/mol×K | [957.12; 1191.79] | 
|
| Cp,gas | 1123.95 | J/mol×K | 957.12 | Joback Calculated Property |
| Cp,gas | 1149.89 | J/mol×K | 996.23 | Joback Calculated Property |
| Cp,gas | 1176.37 | J/mol×K | 1035.34 | Joback Calculated Property |
| Cp,gas | 1203.71 | J/mol×K | 1074.46 | Joback Calculated Property |
| Cp,gas | 1232.24 | J/mol×K | 1113.57 | Joback Calculated Property |
| Cp,gas | 1262.29 | J/mol×K | 1152.68 | Joback Calculated Property |
| Cp,gas | 1294.18 | J/mol×K | 1191.79 | Joback Calculated Property |
Similar Compounds
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Sources
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