- InChI
- InChI=1S/C15H6F12N2O4/c1-5-4-6(28(8(30)12(16,17)18)9(31)13(19,20)21)2-3-7(5)29(10(32)14(22,23)24)11(33)15(25,26)27/h2-4H,1H3
- InChI Key
- ZJPZWBQEOFWYOT-UHFFFAOYSA-N
- Formula
- C15H6F12N2O4
- SMILES
-
Cc1cc(N(C(=O)C(F)(F)F)C(=O)C(F
)(F)F)ccc1N(C(=O)C(F)(F)F)C(=O )C(F)(F)F - Molecular Weight1
- 506.20
- Other Names
-
- 2,5-Bis-di-trifluoroacetaminotoluene
- 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 | 0.7936 | Relay (1.0) Calculated Property | |
| ΔfG° | -2451.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2955.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.963 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1510.50 | kPa | Joback Calculated Property |
| Inp | 1236.00 | NIST | |
| Tboil | 522.98 | K | Relay (1.0) Calculated Property |
| Tc | 754.15 | K | Relay (1.0) Calculated Property |
| Tfus | 379.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.30; 788.02] | J/mol×K | [797.92; 980.52] | 
|
| Cp,gas | 747.30 | J/mol×K | 797.92 | Joback Calculated Property |
| Cp,gas | 755.59 | J/mol×K | 828.35 | Joback Calculated Property |
| Cp,gas | 763.16 | J/mol×K | 858.79 | Joback Calculated Property |
| Cp,gas | 770.10 | J/mol×K | 889.22 | Joback Calculated Property |
| Cp,gas | 776.49 | J/mol×K | 919.65 | Joback Calculated Property |
| Cp,gas | 782.43 | J/mol×K | 950.09 | Joback Calculated Property |
| Cp,gas | 788.02 | J/mol×K | 980.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylbenzene-1,4-diamine, N1,N1,N4,N4-tetrakis(trifluoroacetyl)--.
Sources
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