- InChI
- InChI=1S/C21H21F5O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)28-21(27)15-16(22)18(24)20(26)19(25)17(15)23/h9-12H,2-8H2,1H3
- InChI Key
- UHNTZIMKJXDBPJ-UHFFFAOYSA-N
- Formula
- C21H21F5O2
- SMILES
-
CCCCCCCCc1ccc(OC(=O)c2c(F)c(F)
c(F)c(F)c2F)cc1 - Molecular Weight1
- 400.38
- 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 | 0.9715 | Relay (1.0) Calculated Property | |
| ΔfG° | -914.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1094.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.504 | Crippen Calculated Property | |
| McVol | 275.520 | ml/mol | McGowan Calculated Property |
| Pc | 1238.96 | kPa | Joback Calculated Property |
| Inp | [2281.10; 2287.90] |
|
|
| Inp | 2281.10 | NIST | |
| Inp | 2284.50 | NIST | |
| Inp | 2287.90 | NIST | |
| Inp | 2281.10 | NIST | |
| Tboil | 638.37 | K | Relay (1.0) Calculated Property |
| Tc | 851.41 | K | Relay (1.0) Calculated Property |
| Tfus | 300.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.028 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.81; 899.31] | J/mol×K | [835.76; 1031.00] |
|
| Cp,gas | 828.81 | J/mol×K | 835.76 | Joback Calculated Property |
| Cp,gas | 842.92 | J/mol×K | 868.30 | Joback Calculated Property |
| Cp,gas | 856.06 | J/mol×K | 900.84 | Joback Calculated Property |
| Cp,gas | 868.24 | J/mol×K | 933.38 | Joback Calculated Property |
| Cp,gas | 879.50 | J/mol×K | 965.92 | Joback Calculated Property |
| Cp,gas | 889.85 | J/mol×K | 998.46 | Joback Calculated Property |
| Cp,gas | 899.31 | J/mol×K | 1031.00 | Joback Calculated Property |
Similar Compounds
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Sources
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