- InChI
- InChI=1S/C13H9Cl3N2O/c14-9-6-10(15)12(11(16)7-9)17-18-13(19)8-4-2-1-3-5-8/h1-7,17H,(H,18,19)
- InChI Key
- FWASGTVTBTYRAD-UHFFFAOYSA-N
- Formula
- C13H9Cl3N2O
- SMILES
-
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc
cc1 - Molecular Weight1
- 315.58
- CAS
- 33422-33-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 268.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 74.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.404 | Crippen Calculated Property | |
| McVol | 204.760 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Tboil | 831.64 | K | Joback Calculated Property |
| Tc | 1085.50 | K | Joback Calculated Property |
| Tfus | 439.93 ± 0.20 | K | NIST |
| Vc | 0.770 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.73; 543.26] | J/mol×K | [831.64; 1085.50] | 
|
| Cp,gas | 498.73 | J/mol×K | 831.64 | Joback Calculated Property |
| Cp,gas | 508.31 | J/mol×K | 873.95 | Joback Calculated Property |
| Cp,gas | 516.93 | J/mol×K | 916.26 | Joback Calculated Property |
| Cp,gas | 524.67 | J/mol×K | 958.57 | Joback Calculated Property |
| Cp,gas | 531.59 | J/mol×K | 1000.88 | Joback Calculated Property |
| Cp,gas | 537.76 | J/mol×K | 1043.19 | Joback Calculated Property |
| Cp,gas | 543.26 | J/mol×K | 1085.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(2,4,6-trichlorophenyl)hydrazide.
Sources
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