- InChI
- InChI=1S/C24H29F5O4/c1-13(30)32-19-7-6-17-16-5-4-14-12-15(33-20(31)23(25,26)24(27,28)29)8-10-21(14,2)18(16)9-11-22(17,19)3/h8,12,16-19H,4-7,9-11H2,1-3H3/t16?,17?,18?,19-,21-,22-/m1/s1
- InChI Key
- UTCLHGGWRHENBF-QTJPOHIASA-N
- Formula
- C24H29F5O4
- SMILES
-
CC(=O)OC1CCC2C3CCC4=CC(OC(=O)C
(F)(F)C(F)(F)F)=CCC4(C)C3CCC12 C - Molecular Weight1
- 476.48
- 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 | 0.6463 | Relay (... Calculated Property | |
| ΔfG° | -1088.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1815.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -6.76 | Relay (... Calculated Property | |
| logPoct/wat | 6.115 | Crippen Calculated Property | |
| McVol | 320.710 | ml/mol | McGowan Calculated Property |
| Pc | 1184.16 | kPa | Joback Calculated Property |
| Inp | 2528.00 | NIST | |
| Tboil | 641.38 | K | Relay (... Calculated Property |
| Tc | 881.96 | K | Relay (... Calculated Property |
| Tfus | 378.81 | K | Relay (... Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1157.36; 1318.98] | J/mol×K | [938.72; 1160.64] | 
|
| Cp,gas | 1157.36 | J/mol×K | 938.72 | Joback Calculated Property |
| Cp,gas | 1181.69 | J/mol×K | 975.71 | Joback Calculated Property |
| Cp,gas | 1206.63 | J/mol×K | 1012.69 | Joback Calculated Property |
| Cp,gas | 1232.51 | J/mol×K | 1049.68 | Joback Calculated Property |
| Cp,gas | 1259.64 | J/mol×K | 1086.67 | Joback Calculated Property |
| Cp,gas | 1288.36 | J/mol×K | 1123.65 | Joback Calculated Property |
| Cp,gas | 1318.98 | J/mol×K | 1160.64 | Joback Calculated Property |
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Sources
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