- InChI
- InChI=1S/C13H7F9N2O3/c1-5-4-6(2-3-7(5)23-8(25)11(14,15)16)24(9(26)12(17,18)19)10(27)13(20,21)22/h2-4H,1H3,(H,23,25)
- InChI Key
- RUCJWLKPVHFUSK-UHFFFAOYSA-N
- Formula
- C13H7F9N2O3
- SMILES
-
Cc1cc(N(C(=O)C(F)(F)F)C(=O)C(F
)(F)F)ccc1NC(=O)C(F)(F)F - Molecular Weight1
- 410.19
- 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 | 0.7118 | Relay (1.0) Calculated Property | |
| ΔfG° | -1779.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2243.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 210.870 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | 1453.00 | NIST | |
| Tboil | 526.03 | K | Relay (1.0) Calculated Property |
| Tc | 760.47 | K | Relay (1.0) Calculated Property |
| Tfus | 405.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.777 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.90; 662.24] | J/mol×K | [741.44; 924.16] | 
|
| Cp,gas | 617.90 | J/mol×K | 741.44 | Joback Calculated Property |
| Cp,gas | 626.95 | J/mol×K | 771.89 | Joback Calculated Property |
| Cp,gas | 635.25 | J/mol×K | 802.35 | Joback Calculated Property |
| Cp,gas | 642.85 | J/mol×K | 832.80 | Joback Calculated Property |
| Cp,gas | 649.84 | J/mol×K | 863.25 | Joback Calculated Property |
| Cp,gas | 656.28 | J/mol×K | 893.71 | Joback Calculated Property |
| Cp,gas | 662.24 | J/mol×K | 924.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 2.
Sources
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