- InChI
- InChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
- InChI Key
- DSVOTYIOPGIVPP-UHFFFAOYSA-N
- Formula
- C9H9Cl2NO2
- SMILES
- CNC(=O)OCc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 234.08
- CAS
- 1966-58-1
- Other Names
-
- 3,4-Dichlorobenzyl N-methylcarbamate
- Benzenemethanol, 3,4-dichloro-, methylcarbamate
- Carbamic acid, methyl-, 3,4-dichlorobenzyl ester
- N-Methylcarbamic acid 3,4-dichlorobenzyl ester
- Sirmate
- UC 22463
- 3,4-Dichlorobenzyl methylcarbamate
- 3,4-Sirmate
- Benzenemethanol, 3,4-dichloro-, 1-(N-methylcarbamate)
- 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 | 0.6194 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.849 | Crippen Calculated Property | |
| McVol | 155.810 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 554.89 | K | Relay (1.0) Calculated Property |
| Tc | 827.13 | K | Relay (1.0) Calculated Property |
| Tfus | 340.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.24; 400.12] | J/mol×K | [643.28; 869.01] | 
|
| Cp,gas | 347.24 | J/mol×K | 643.28 | Joback Calculated Property |
| Cp,gas | 357.77 | J/mol×K | 680.90 | Joback Calculated Property |
| Cp,gas | 367.60 | J/mol×K | 718.52 | Joback Calculated Property |
| Cp,gas | 376.74 | J/mol×K | 756.15 | Joback Calculated Property |
| Cp,gas | 385.20 | J/mol×K | 793.77 | Joback Calculated Property |
| Cp,gas | 392.99 | J/mol×K | 831.39 | Joback Calculated Property |
| Cp,gas | 400.12 | J/mol×K | 869.01 | Joback Calculated Property |
Similar Compounds
![Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester.](data:image/png;base64,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)
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