- InChI
- InChI=1S/C11H13Cl2NO2/c1-7(2)6-16-11(15)14-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
- InChI Key
- SFAAIBQKZLICIP-UHFFFAOYSA-N
- Formula
- C11H13Cl2NO2
- SMILES
- CC(C)COC(=O)Nc1ccc(Cl)cc1Cl
- Molecular Weight1
- 262.13
- 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° | -35.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 4.198 | Crippen Calculated Property | |
| McVol | 183.990 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Inp | 1957.00 | NIST | |
| Tboil | 688.60 | K | Joback Calculated Property |
| Tc | 910.62 | K | Joback Calculated Property |
| Tfus | 434.85 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.75; 506.89] | J/mol×K | [688.60; 910.62] | 
|
| Cp,gas | 445.75 | J/mol×K | 688.60 | Joback Calculated Property |
| Cp,gas | 457.97 | J/mol×K | 725.60 | Joback Calculated Property |
| Cp,gas | 469.35 | J/mol×K | 762.61 | Joback Calculated Property |
| Cp,gas | 479.91 | J/mol×K | 799.61 | Joback Calculated Property |
| Cp,gas | 489.68 | J/mol×K | 836.61 | Joback Calculated Property |
| Cp,gas | 498.66 | J/mol×K | 873.61 | Joback Calculated Property |
| Cp,gas | 506.89 | J/mol×K | 910.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylcarbamate, N-(2,4-dichlorobenzyl).
Sources
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