- InChI
- InChI=1S/C8H6Cl3N3O3/c9-8(10,11)7(15)13-12-5-1-3-6(4-2-5)14(16)17/h1-4,12H,(H,13,15)
- InChI Key
- FNDDFBZHXSUDBM-UHFFFAOYSA-N
- Formula
- C8H6Cl3N3O3
- SMILES
-
O=C(NNc1ccc([N+](=O)[O-])cc1)C
(Cl)(Cl)Cl - Molecular Weight1
- 298.51
- CAS
- 116436-39-6
- 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).
- 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 | 0.6331 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.408 | Crippen Calculated Property | |
| McVol | 175.490 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 604.80 | K | Relay (1.0) Calculated Property |
| Tc | 929.65 | K | Relay (1.0) Calculated Property |
| Tfus | 446.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.41; 455.26] | J/mol×K | [829.21; 1093.73] | 
|
| Cp,gas | 422.41 | J/mol×K | 829.21 | Joback Calculated Property |
| Cp,gas | 429.48 | J/mol×K | 873.30 | Joback Calculated Property |
| Cp,gas | 435.76 | J/mol×K | 917.38 | Joback Calculated Property |
| Cp,gas | 441.36 | J/mol×K | 961.47 | Joback Calculated Property |
| Cp,gas | 446.41 | J/mol×K | 1005.56 | Joback Calculated Property |
| Cp,gas | 451.00 | J/mol×K | 1049.65 | Joback Calculated Property |
| Cp,gas | 455.26 | J/mol×K | 1093.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid 2-(p-nitrophenyl)-hydrazide.
Sources
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