- InChI
- InChI=1S/C11H5F6NO4/c12-10(13,14)8(20)18-6-3-1-5(2-4-6)7(19)22-9(21)11(15,16)17/h1-4H,(H,18,20)
- InChI Key
- JHXIHVYKFWOXHJ-UHFFFAOYSA-N
- Formula
- C11H5F6NO4
- SMILES
-
O=C(OC(=O)C(F)(F)F)c1ccc(NC(=O
)C(F)(F)F)cc1 - Molecular Weight1
- 329.15
- 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 | 0.6814 | Relay (1.0) Calculated Property | |
| ΔfG° | -1421.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1818.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.433 | Crippen Calculated Property | |
| McVol | 173.270 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Inp | 1488.00 | NIST | |
| Tboil | 529.14 | K | Relay (1.0) Calculated Property |
| Tc | 738.12 | K | Relay (1.0) Calculated Property |
| Tfus | 395.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.35; 519.48] | J/mol×K | [706.10; 900.50] | 
|
| Cp,gas | 477.35 | J/mol×K | 706.10 | Joback Calculated Property |
| Cp,gas | 486.12 | J/mol×K | 738.50 | Joback Calculated Property |
| Cp,gas | 494.12 | J/mol×K | 770.90 | Joback Calculated Property |
| Cp,gas | 501.41 | J/mol×K | 803.30 | Joback Calculated Property |
| Cp,gas | 508.04 | J/mol×K | 835.70 | Joback Calculated Property |
| Cp,gas | 514.04 | J/mol×K | 868.10 | Joback Calculated Property |
| Cp,gas | 519.48 | J/mol×K | 900.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Aminobenzoic acid, N,O-bis(trifluoroacetyl)-.
Sources
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