- InChI
- InChI=1S/C11H10Cl3NO4/c1-7(16)15-8-2-4-9(5-3-8)19-10(17)18-6-11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
- InChI Key
- GZCRJHAVDRUHET-UHFFFAOYSA-N
- Formula
- C11H10Cl3NO4
- SMILES
-
CC(=O)Nc1ccc(OC(=O)OCC(Cl)(Cl)
Cl)cc1 - Molecular Weight1
- 326.56
- CAS
- 790-90-9
- 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 | 0.7380 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.531 | Crippen Calculated Property | |
| McVol | 203.670 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Tboil | 620.27 | K | Relay (1.0) Calculated Property |
| Tc | 864.52 | K | Relay (1.0) Calculated Property |
| Tfus | 422.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.18; 547.13] | J/mol×K | [794.55; 1028.72] | 
|
| Cp,gas | 504.18 | J/mol×K | 794.55 | Joback Calculated Property |
| Cp,gas | 513.55 | J/mol×K | 833.58 | Joback Calculated Property |
| Cp,gas | 521.98 | J/mol×K | 872.61 | Joback Calculated Property |
| Cp,gas | 529.52 | J/mol×K | 911.63 | Joback Calculated Property |
| Cp,gas | 536.20 | J/mol×K | 950.66 | Joback Calculated Property |
| Cp,gas | 542.06 | J/mol×K | 989.69 | Joback Calculated Property |
| Cp,gas | 547.13 | J/mol×K | 1028.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, n-(p-hydroxyphenyl)-, 2,2,2-trichloroethyl carbonate.
Sources
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