- InChI
- InChI=1S/C21H23FO4/c1-2-3-4-7-13-25-20(23)18-11-5-6-12-19(18)21(24)26-15-16-9-8-10-17(22)14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3
- InChI Key
- REZJCDNWEUAKQR-UHFFFAOYSA-N
- Formula
- C21H23FO4
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c
ccc(F)c1 - Molecular Weight1
- 358.40
- 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 | 0.9368 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.920 | Crippen Calculated Property | |
| McVol | 275.880 | ml/mol | McGowan Calculated Property |
| Pc | 1531.86 | kPa | Joback Calculated Property |
| Inp | [2551.00; 2551.00] |
|
|
| Inp | 2551.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Tboil | 657.13 | K | Relay (1.0) Calculated Property |
| Tc | 896.78 | K | Relay (1.0) Calculated Property |
| Tfus | 262.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.020 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.44; 909.65] | J/mol×K | [895.05; 1112.73] |
|
| Cp,gas | 845.44 | J/mol×K | 895.05 | Joback Calculated Property |
| Cp,gas | 859.16 | J/mol×K | 931.33 | Joback Calculated Property |
| Cp,gas | 871.62 | J/mol×K | 967.61 | Joback Calculated Property |
| Cp,gas | 882.86 | J/mol×K | 1003.89 | Joback Calculated Property |
| Cp,gas | 892.93 | J/mol×K | 1040.17 | Joback Calculated Property |
| Cp,gas | 901.84 | J/mol×K | 1076.45 | Joback Calculated Property |
| Cp,gas | 909.65 | J/mol×K | 1112.73 | Joback Calculated Property |
Similar Compounds
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Sources
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