- InChI
- InChI=1S/C17H19F5O4/c1-2-8-25-11(23)6-4-3-5-7-12(24)26-9-10-13(18)15(20)17(22)16(21)14(10)19/h2-9H2,1H3
- InChI Key
- CFRNFNDRUISJOU-UHFFFAOYSA-N
- Formula
- C17H19F5O4
- SMILES
-
CCCOC(=O)CCCCCC(=O)OCc1c(F)c(F
)c(F)c(F)c1F - Molecular Weight1
- 382.32
- 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° | -1285.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1575.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.329 | Crippen Calculated Property | |
| McVol | 250.360 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Inp | [2073.00; 2073.00] |
|
|
| Inp | 2073.00 | NIST | |
| Inp | 2073.00 | NIST | |
| Tboil | 588.61 | K | Relay (1.0) Calculated Property |
| Tc | 756.40 | K | Relay (1.0) Calculated Property |
| Tfus | 302.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.948 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.11; 805.22] | J/mol×K | [788.87; 971.02] |
|
| Cp,gas | 739.11 | J/mol×K | 788.87 | Joback Calculated Property |
| Cp,gas | 752.16 | J/mol×K | 819.23 | Joback Calculated Property |
| Cp,gas | 764.39 | J/mol×K | 849.59 | Joback Calculated Property |
| Cp,gas | 775.81 | J/mol×K | 879.95 | Joback Calculated Property |
| Cp,gas | 786.43 | J/mol×K | 910.31 | Joback Calculated Property |
| Cp,gas | 796.23 | J/mol×K | 940.66 | Joback Calculated Property |
| Cp,gas | 805.22 | J/mol×K | 971.02 | Joback Calculated Property |
Similar Compounds
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Sources
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