- InChI
- InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
- InChI Key
- WOZQBERUBLYCEG-UHFFFAOYSA-N
- Formula
- C8H7Cl2NO
- SMILES
- COC(=O)Nc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 204.05
- CAS
- 1918-18-9
- Other Names
-
- Carbamic acid, (3,4-dichlorophenyl)-, methyl ester
- Carbanilic acid, 3,4-dichloro-, methyl ester
- Methyl N-(3,4-dichlorophenyl)carbamate
- Methyl 3,4-dichlorocarbanilate
- Methyl 3,4-dichlorophenylcarbamate
- MCC
- NIA 2,995
- 3,4-Dichlorocarbanilic acid methyl ester
- FMC 2995
- Methylester kyseliny 3,4-dichlorkarbanilove
- NIA 2995J
- 3,4-Dichlorophenylcarbamic acid methyl ester
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- I : 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° | -58.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 3.172 | Crippen Calculated Property | |
| McVol | 141.720 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Inp | [1688.00; 1688.00] |
|
|
| Inp | 1688.00 | NIST | |
| Inp | 1688.00 | NIST | |
| I | 2947.00 | NIST | |
| Tboil | 620.40 | K | Joback Calculated Property |
| Tc | 850.53 | K | Joback Calculated Property |
| Tfus | 382.70 ± 0.20 | K | NIST |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.55; 348.84] | J/mol×K | [620.40; 850.53] |
|
| Cp,gas | 300.55 | J/mol×K | 620.40 | Joback Calculated Property |
| Cp,gas | 310.19 | J/mol×K | 658.76 | Joback Calculated Property |
| Cp,gas | 319.18 | J/mol×K | 697.11 | Joback Calculated Property |
| Cp,gas | 327.53 | J/mol×K | 735.47 | Joback Calculated Property |
| Cp,gas | 335.26 | J/mol×K | 773.82 | Joback Calculated Property |
| Cp,gas | 342.35 | J/mol×K | 812.18 | Joback Calculated Property |
| Cp,gas | 348.84 | J/mol×K | 850.53 | Joback Calculated Property |
| ΔfusH | [23.19; 23.19] | kJ/mol | [381.40; 381.40] |
|
| ΔfusH | 23.19 | kJ/mol | 381.40 | NIST |
| ΔfusH | 23.19 | kJ/mol | 381.40 | NIST |
Similar Compounds
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Sources
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