- InChI
- InChI=1S/C9H8Cl3NO2/c1-13(2)9(14)15-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H3
- InChI Key
- VCSDFCWFZZFAEC-UHFFFAOYSA-N
- Formula
- C9H8Cl3NO2
- SMILES
- CN(C)C(=O)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 268.52
- CAS
- 6935-06-4
- 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 | 0.6212 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.707 | Crippen Calculated Property | |
| McVol | 168.050 | ml/mol | McGowan Calculated Property |
| Pc | 2881.21 | kPa | Joback Calculated Property |
| Tboil | 551.48 | K | Relay (1.0) Calculated Property |
| Tc | 827.17 | K | Relay (1.0) Calculated Property |
| Tfus | 384.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.77; 408.77] | J/mol×K | [647.96; 875.86] | 
|
| Cp,gas | 358.77 | J/mol×K | 647.96 | Joback Calculated Property |
| Cp,gas | 368.80 | J/mol×K | 685.94 | Joback Calculated Property |
| Cp,gas | 378.14 | J/mol×K | 723.93 | Joback Calculated Property |
| Cp,gas | 386.78 | J/mol×K | 761.91 | Joback Calculated Property |
| Cp,gas | 394.76 | J/mol×K | 799.89 | Joback Calculated Property |
| Cp,gas | 402.08 | J/mol×K | 837.88 | Joback Calculated Property |
| Cp,gas | 408.77 | J/mol×K | 875.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trichlorophenyl-n,n-dimethyl carbamate.
Sources
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