- InChI
- InChI=1S/C17H15Cl3F7NO4/c1-2-3-8-31-12(15(18,19)20)28-11(29)9-6-4-5-7-10(9)32-13(30)14(21,22)16(23,24)17(25,26)27/h4-7,12H,2-3,8H2,1H3,(H,28,29)
- InChI Key
- YRFYDFMPNIGBNE-UHFFFAOYSA-N
- Formula
- C17H15Cl3F7NO4
- SMILES
-
CCCCOC(NC(=O)c1ccccc1OC(=O)C(F
)(F)C(F)(F)C(F)(F)F)C(Cl)(Cl)C l - Molecular Weight1
- 536.65
- 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 | 0.8437 | Relay (1.0) Calculated Property | |
| ΔfG° | -1573.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2198.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.668 | Crippen Calculated Property | |
| McVol | 300.600 | ml/mol | McGowan Calculated Property |
| Pc | 1302.35 | kPa | Joback Calculated Property |
| Inp | 2111.00 | NIST | |
| Tboil | 629.36 | K | Relay (1.0) Calculated Property |
| Tc | 824.45 | K | Relay (1.0) Calculated Property |
| Tfus | 344.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.51; 933.48] | J/mol×K | [916.59; 1126.93] | 
|
| Cp,gas | 886.51 | J/mol×K | 916.59 | Joback Calculated Property |
| Cp,gas | 895.81 | J/mol×K | 951.65 | Joback Calculated Property |
| Cp,gas | 904.38 | J/mol×K | 986.70 | Joback Calculated Property |
| Cp,gas | 912.31 | J/mol×K | 1021.76 | Joback Calculated Property |
| Cp,gas | 919.73 | J/mol×K | 1056.82 | Joback Calculated Property |
| Cp,gas | 926.75 | J/mol×K | 1091.88 | Joback Calculated Property |
| Cp,gas | 933.48 | J/mol×K | 1126.93 | Joback Calculated Property |
Similar Compounds
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Sources
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