- InChI
- InChI=1S/C15H18F2O4/c1-2-8-20-14(18)4-3-5-15(19)21-10-11-6-7-12(16)13(17)9-11/h6-7,9H,2-5,8,10H2,1H3
- InChI Key
- MJAIAVMNAYWCPH-UHFFFAOYSA-N
- Formula
- C15H18F2O4
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1ccc(F)c(F
)c1 - Molecular Weight1
- 300.30
- 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 | 0.8024 | Relay (1.0) Calculated Property | |
| ΔfG° | -688.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1093.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 216.870 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | 2147.00 | NIST | |
| Tboil | 584.42 | K | Relay (1.0) Calculated Property |
| Tc | 761.04 | K | Relay (1.0) Calculated Property |
| Tfus | 266.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.38; 677.64] | J/mol×K | [730.36; 921.52] | 
|
| Cp,gas | 608.38 | J/mol×K | 730.36 | Joback Calculated Property |
| Cp,gas | 621.95 | J/mol×K | 762.22 | Joback Calculated Property |
| Cp,gas | 634.70 | J/mol×K | 794.08 | Joback Calculated Property |
| Cp,gas | 646.64 | J/mol×K | 825.94 | Joback Calculated Property |
| Cp,gas | 657.77 | J/mol×K | 857.80 | Joback Calculated Property |
| Cp,gas | 668.10 | J/mol×K | 889.66 | Joback Calculated Property |
| Cp,gas | 677.64 | J/mol×K | 921.52 | Joback Calculated Property |
Similar Compounds
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Sources
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