- InChI
- InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
- InChI Key
- BIXZHMJUSMUDOQ-UHFFFAOYSA-N
- Formula
- C6H4Cl2N2O2
- SMILES
- Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
- Molecular Weight1
- 207.01
- CAS
- 99-30-9
- Other Names
-
- 1-amino-2,6-dichloro-4-nitrobenzene
- 2,6-Dichlor-4-nitroanilin
- 2,6-Dichloro-4-nitrobenzeneamine
- 2,6-dichloro-4-nitroaniline
- 2,6-dichloro-4-nitrobenzenamine
- 2,6-dichloro-p-nitroaniline
- 4-Nitroaniline, 2,6-dichloro-
- 4-nitro-2,6-dichloroaniline
- Al-50
- Allisan
- Batran
- Bortran
- Botran 75B
- Botran 75W
- CDNA
- CNA
- DCNA
- DCNA (fungicide)
- Dichloran (amine fungicide)
- Ditranil
- NSC 218
- RD-6584
- Resisan
- U-2069
- aniline, 2,6-dichloro-4-nitro-
- benzenamine, 2,6-dichloro-4-nitro-
- dichloran
- dicloran
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Psub : Sublimation 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° | 161.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.12 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 109.20 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 69.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.484 | Crippen Calculated Property | |
| McVol | 123.520 | ml/mol | McGowan Calculated Property |
| Pc | 4368.40 | kPa | Joback Calculated Property |
| Inp | [1716.00; 1734.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1723.00 | NIST | |
| Inp | 1734.00 | NIST | |
| I | 2854.00 | NIST | |
| Tboil | 677.53 | K | Joback Calculated Property |
| Tc | 948.30 | K | Joback Calculated Property |
| Tfus | [466.80; 467.44] | K |
|
| Tfus | 467.44 ± 0.20 | K | NIST |
| Tfus | 466.80 ± 0.20 | K | NIST |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.08; 295.51] | J/mol×K | [677.53; 948.30] |
|
| Cp,gas | 260.08 | J/mol×K | 677.53 | Joback Calculated Property |
| Cp,gas | 267.57 | J/mol×K | 722.66 | Joback Calculated Property |
| Cp,gas | 274.37 | J/mol×K | 767.79 | Joback Calculated Property |
| Cp,gas | 280.54 | J/mol×K | 812.91 | Joback Calculated Property |
| Cp,gas | 286.09 | J/mol×K | 858.04 | Joback Calculated Property |
| Cp,gas | 291.07 | J/mol×K | 903.17 | Joback Calculated Property |
| Cp,gas | 295.51 | J/mol×K | 948.30 | Joback Calculated Property |
| ΔfusH | [29.48; 32.64] | kJ/mol | [466.80; 467.20] |
|
| ΔfusH | 32.64 | kJ/mol | 466.80 | NIST |
| ΔfusH | 29.48 | kJ/mol | 467.20 | NIST |
| ΔsubH | 108.20 ± 0.60 | kJ/mol | 355.00 | NIST |
| Psub | [1.04e-04; 1.07e-03] | kPa | [344.17; 366.17] |
|
| Psub | 1.08e-04 | kPa | 344.17 | Experim... |
| Psub | 1.06e-04 | kPa | 344.17 | Experim... |
| Psub | 1.04e-04 | kPa | 344.17 | Experim... |
| Psub | 1.40e-04 | kPa | 346.18 | Experim... |
| Psub | 1.35e-04 | kPa | 346.18 | Experim... |
| Psub | 1.36e-04 | kPa | 346.18 | Experim... |
| Psub | 1.68e-04 | kPa | 348.14 | Experim... |
| Psub | 1.63e-04 | kPa | 348.14 | Experim... |
| Psub | 1.63e-04 | kPa | 348.14 | Experim... |
| Psub | 2.02e-04 | kPa | 350.16 | Experim... |
| Psub | 2.03e-04 | kPa | 350.16 | Experim... |
| Psub | 2.63e-04 | kPa | 352.19 | Experim... |
| Psub | 2.54e-04 | kPa | 352.19 | Experim... |
| Psub | 2.48e-04 | kPa | 352.19 | Experim... |
| Psub | 3.11e-04 | kPa | 354.15 | Experim... |
| Psub | 3.10e-04 | kPa | 354.15 | Experim... |
| Psub | 3.11e-04 | kPa | 354.15 | Experim... |
| Psub | 3.68e-04 | kPa | 356.17 | Experim... |
| Psub | 3.67e-04 | kPa | 356.17 | Experim... |
| Psub | 3.95e-04 | kPa | 356.17 | Experim... |
| Psub | 4.68e-04 | kPa | 358.17 | Experim... |
| Psub | 4.64e-04 | kPa | 358.17 | Experim... |
| Psub | 4.94e-04 | kPa | 358.17 | Experim... |
| Psub | 5.83e-04 | kPa | 360.16 | Experim... |
| Psub | 5.71e-04 | kPa | 360.16 | Experim... |
| Psub | 5.53e-04 | kPa | 360.16 | Experim... |
| Psub | 7.10e-04 | kPa | 362.13 | Experim... |
| Psub | 7.25e-04 | kPa | 362.13 | Experim... |
| Psub | 7.11e-04 | kPa | 362.13 | Experim... |
| Psub | 8.64e-04 | kPa | 364.15 | Experim... |
| Psub | 8.57e-04 | kPa | 364.15 | Experim... |
| Psub | 8.31e-04 | kPa | 364.15 | Experim... |
| Psub | 1.07e-03 | kPa | 366.17 | Experim... |
| Psub | 1.04e-03 | kPa | 366.17 | Experim... |
| Psub | 1.01e-03 | kPa | 366.17 | Experim... |
Similar Compounds
Find more compounds similar to Botran.
Mixtures
- Botran + Water
- Botran + Methyl Alcohol
- Ethanol + Botran
- 1-Propanol + Botran
- Isopropyl Alcohol + Botran
- 1-Butanol + Botran
- 1,2-Ethanediol + Botran
- Acetonitrile + Botran
- Botran + Cyclohexane
- Botran + 1,4-Dioxane
- Botran + Ethyl Acetate
- 2-Pyrrolidinone, 1-methyl- + Botran
Sources
- Crippen Method
- Crippen Method
- Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
- Solubility and Solution Thermodynamics of 2,6-Dichloro-4-nitroaniline in 12 Pure Solvents at Temperatures from 278.15 to 323.15 K
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.