- InChI
- InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
- InChI Key
- JXCGFZXSOMJFOA-UHFFFAOYSA-N
- Formula
- C10H13ClN2O
- SMILES
- Cc1ccc(NC(=O)N(C)C)cc1Cl
- Molecular Weight1
- 212.68
- CAS
- 15545-48-9
- Other Names
-
- 3-(3-Chlor-4-methylphenyl)-1,1-dimethylharnstoff
- 3-(3-Chloro-4-methylphenyl)-1,1-dimethylurea
- 3-(3-Chloro-p-tolyl)-1,1-dimethylurea
- C 2242
- CGA 15646
- Chlorotoluron
- Clortokem
- Dicuran
- Dicuran 500FL
- N,N-Dimethyl-N'-(3-chloro-4-methylphenyl)urea
- N-(3-Chloro-4-methylphenyl)-N',N'-dimethylurea
- Tolurex
- Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl-
- Urea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-
- 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).
- 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° | 185.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.06 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.48; -3.46] |
|
|
| log10WS | -3.46 | Aq. Sol... | |
| log10WS | -3.48 | Estimat... | |
| logPoct/wat | 2.742 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 618.75 | K | Joback Calculated Property |
| Tc | 836.56 | K | Joback Calculated Property |
| Tfus | 421.25 | K | Aq. Sol... |
| Vc | 0.596 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.26; 449.76] | J/mol×K | [618.75; 836.56] |
|
| Cp,gas | 384.26 | J/mol×K | 618.75 | Joback Calculated Property |
| Cp,gas | 397.18 | J/mol×K | 655.05 | Joback Calculated Property |
| Cp,gas | 409.24 | J/mol×K | 691.35 | Joback Calculated Property |
| Cp,gas | 420.49 | J/mol×K | 727.66 | Joback Calculated Property |
| Cp,gas | 430.97 | J/mol×K | 763.96 | Joback Calculated Property |
| Cp,gas | 440.71 | J/mol×K | 800.26 | Joback Calculated Property |
| Cp,gas | 449.76 | J/mol×K | 836.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlortoluron.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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