- InChI
- InChI=1S/C19H12Cl3NO2/c20-15-11-17(22)18(12-16(15)21)25-19(24)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
- InChI Key
- FRZWCDXDXOIWPL-UHFFFAOYSA-N
- Formula
- C19H12Cl3NO2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)N(c1cc
ccc1)c1ccccc1 - Molecular Weight1
- 392.66
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 258.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 15.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.06 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 6.984 | Crippen Calculated Property | |
| McVol | 261.430 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [2928.00; 2928.00] |
|
|
| Inp | 2928.00 | NIST | |
| Inp | 2928.00 | NIST | |
| Tboil | 930.12 | K | Joback Calculated Property |
| Tc | 1194.39 | K | Joback Calculated Property |
| Tfus | 615.10 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.33; 735.67] | J/mol×K | [930.12; 1194.39] |
|
| Cp,gas | 689.33 | J/mol×K | 930.12 | Joback Calculated Property |
| Cp,gas | 699.70 | J/mol×K | 974.16 | Joback Calculated Property |
| Cp,gas | 708.87 | J/mol×K | 1018.21 | Joback Calculated Property |
| Cp,gas | 716.94 | J/mol×K | 1062.25 | Joback Calculated Property |
| Cp,gas | 724.02 | J/mol×K | 1106.30 | Joback Calculated Property |
| Cp,gas | 730.23 | J/mol×K | 1150.34 | Joback Calculated Property |
| Cp,gas | 735.67 | J/mol×K | 1194.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Diphenylcarbamic acid, 2,4,5-trichlorophenyl ester.
Sources
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