- InChI
- InChI=1S/C23H31F5O4/c1-15(2)10-9-13-31-17(29)11-7-5-3-4-6-8-12-18(30)32-14-16-19(24)21(26)23(28)22(27)20(16)25/h15H,3-14H2,1-2H3
- InChI Key
- FIAIQWPZVQIPRF-UHFFFAOYSA-N
- Formula
- C23H31F5O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)OCc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 466.48
- 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 | 1.1161 | Relay (1.0) Calculated Property | |
| ΔfG° | -1237.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1704.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.526 | Crippen Calculated Property | |
| McVol | 334.900 | ml/mol | McGowan Calculated Property |
| Pc | 921.06 | kPa | Joback Calculated Property |
| Inp | [2632.00; 2632.00] |
|
|
| Inp | 2632.00 | NIST | |
| Inp | 2632.00 | NIST | |
| Tboil | 646.29 | K | Relay (1.0) Calculated Property |
| Tc | 811.75 | K | Relay (1.0) Calculated Property |
| Tfus | 319.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.257 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1091.30; 1165.39] | J/mol×K | [925.71; 1135.53] |
|
| Cp,gas | 1091.30 | J/mol×K | 925.71 | Joback Calculated Property |
| Cp,gas | 1107.06 | J/mol×K | 960.68 | Joback Calculated Property |
| Cp,gas | 1121.43 | J/mol×K | 995.65 | Joback Calculated Property |
| Cp,gas | 1134.43 | J/mol×K | 1030.62 | Joback Calculated Property |
| Cp,gas | 1146.08 | J/mol×K | 1065.59 | Joback Calculated Property |
| Cp,gas | 1156.40 | J/mol×K | 1100.56 | Joback Calculated Property |
| Cp,gas | 1165.39 | J/mol×K | 1135.53 | Joback Calculated Property |
Similar Compounds
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Sources
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