- InChI
- InChI=1S/C15H15Cl3F3NO4/c1-2-3-8-25-12(14(16,17)18)22-11(23)9-6-4-5-7-10(9)26-13(24)15(19,20)21/h4-7,12H,2-3,8H2,1H3,(H,22,23)
- InChI Key
- BSAJPCLSGVXCLZ-UHFFFAOYSA-N
- Formula
- C15H15Cl3F3NO4
- SMILES
-
CCCCOC(NC(=O)c1ccccc1OC(=O)C(F
)(F)F)C(Cl)(Cl)Cl - Molecular Weight1
- 436.64
- 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 | 0.7601 | Relay (1.0) Calculated Property | |
| ΔfG° | -817.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1339.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.397 | Crippen Calculated Property | |
| McVol | 265.340 | ml/mol | McGowan Calculated Property |
| Pc | 1683.79 | kPa | Joback Calculated Property |
| Inp | [2099.00; 2099.00] |
|
|
| Inp | 2099.00 | NIST | |
| Inp | 2099.00 | NIST | |
| Tboil | 619.41 | K | Relay (1.0) Calculated Property |
| Tc | 832.91 | K | Relay (1.0) Calculated Property |
| Tfus | 355.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.88; 790.30] | J/mol×K | [880.21; 1095.86] |
|
| Cp,gas | 743.88 | J/mol×K | 880.21 | Joback Calculated Property |
| Cp,gas | 753.65 | J/mol×K | 916.15 | Joback Calculated Property |
| Cp,gas | 762.52 | J/mol×K | 952.09 | Joback Calculated Property |
| Cp,gas | 770.55 | J/mol×K | 988.04 | Joback Calculated Property |
| Cp,gas | 777.82 | J/mol×K | 1023.98 | Joback Calculated Property |
| Cp,gas | 784.38 | J/mol×K | 1059.92 | Joback Calculated Property |
| Cp,gas | 790.30 | J/mol×K | 1095.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichlamide, N-trifluoroacetyl-.
Sources
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