- InChI
- InChI=1S/C18H23F3O4/c1-2-3-4-5-11-24-16(22)7-6-8-17(23)25-12-13-14(19)9-10-15(20)18(13)21/h9-10H,2-8,11-12H2,1H3
- InChI Key
- MQBRVHVVPKHKKU-UHFFFAOYSA-N
- Formula
- C18H23F3O4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1c(F)cc
c(F)c1F - Molecular Weight1
- 360.37
- 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 | 0.9296 | Relay (1.0) Calculated Property | |
| ΔfG° | -868.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1303.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.441 | Crippen Calculated Property | |
| McVol | 260.910 | ml/mol | McGowan Calculated Property |
| Pc | 1368.70 | kPa | Joback Calculated Property |
| Inp | 2249.00 | NIST | |
| Tboil | 617.20 | K | Relay (1.0) Calculated Property |
| Tc | 791.10 | K | Relay (1.0) Calculated Property |
| Tfus | 295.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.982 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.37; 854.10] | J/mol×K | [803.25; 991.53] | 
|
| Cp,gas | 782.37 | J/mol×K | 803.25 | Joback Calculated Property |
| Cp,gas | 796.60 | J/mol×K | 834.63 | Joback Calculated Property |
| Cp,gas | 809.91 | J/mol×K | 866.01 | Joback Calculated Property |
| Cp,gas | 822.31 | J/mol×K | 897.39 | Joback Calculated Property |
| Cp,gas | 833.80 | J/mol×K | 928.77 | Joback Calculated Property |
| Cp,gas | 844.39 | J/mol×K | 960.15 | Joback Calculated Property |
| Cp,gas | 854.10 | J/mol×K | 991.53 | Joback Calculated Property |
Similar Compounds
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Sources
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