- InChI
- InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
- InChI Key
- NLYNUTMZTCLNOO-UHFFFAOYSA-N
- Formula
- C9H10BrClN2O2
- SMILES
- CON(C)C(=O)Nc1ccc(Br)c(Cl)c1
- Molecular Weight1
- 293.55
- CAS
- 13360-45-7
- Other Names
-
- 1-(3-Chloro-4-bromophenyl)-3-methyl-3-methoxyurea
- 1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea
- 3-(4-Bromo-3-Chlorophenyl)-1-methoxy-1-methylurea
- Bromex
- Bromex (herbicide)
- C 6313
- CIBA 6313
- Chlorobromuron
- Maloran
- N-(4-Bromo-3-chlorophenyl)-N'-methoxy-N'-methylurea
- Urea, 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methyl-
- Urea, N'-(4-bromo-3-chlorophenyl)-N-methoxy-N-methyl-
- 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).
- 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° | 86.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.68 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.92; -3.92] |
|
|
| log10WS | -3.92 | Aq. Sol... | |
| log10WS | -3.92 | Estimat... | |
| logPoct/wat | 3.128 | Crippen Calculated Property | |
| McVol | 171.050 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 684.45 | K | Joback Calculated Property |
| Tc | 914.71 | K | Joback Calculated Property |
| Tfus | [370.00; 370.66] | K |
|
| Tfus | 370.66 ± 0.20 | K | NIST |
| Tfus | 370.00 ± 0.20 | K | NIST |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.04; 445.55] | J/mol×K | [684.45; 914.71] |
|
| Cp,gas | 393.04 | J/mol×K | 684.45 | Joback Calculated Property |
| Cp,gas | 403.69 | J/mol×K | 722.83 | Joback Calculated Property |
| Cp,gas | 413.53 | J/mol×K | 761.20 | Joback Calculated Property |
| Cp,gas | 422.60 | J/mol×K | 799.58 | Joback Calculated Property |
| Cp,gas | 430.94 | J/mol×K | 837.96 | Joback Calculated Property |
| Cp,gas | 438.58 | J/mol×K | 876.34 | Joback Calculated Property |
| Cp,gas | 445.55 | J/mol×K | 914.71 | Joback Calculated Property |
| ΔfusH | [26.54; 26.54] | kJ/mol | [369.80; 369.80] |
|
| ΔfusH | 26.54 | kJ/mol | 369.80 | NIST |
| ΔfusH | 26.54 | kJ/mol | 369.80 | NIST |
Similar Compounds
Find more compounds similar to Chlorbromuron.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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