- InChI
- InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
- InChI Key
- OWZPCEFYPSAJFR-UHFFFAOYSA-N
- Formula
- C10H12N2O5
- SMILES
-
CCC(C)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1O - Molecular Weight1
- 240.21
- CAS
- 88-85-7
- Other Names
-
- 2,4-Dinitro-6-(1-methylpropyl)phenol
- 2,4-Dinitro-6-sec-butylphenol
- 2-(1-Methylpropyl)-4,6-Dinitrophenol
- 2-sec-Butyl-4,6-Dinitrophenol
- 4,6-Dinitro-2-(1-methyl-n-propyl)phenol
- 4,6-Dinitro-2-(2-butyl)phenol
- 4,6-Dinitro-2-sec-butylphenol
- 4,6-Dinitro-2-sec.butylfenol
- 4,6-Dinitro-o-sec-butylphenol
- 6-(1-Methyl-propyl)-2,4-dinitrofenol
- 6-(1-Metil-propil)-2,4-dinitro-fenolo
- 6-sec-Butyl-2,4-dinitrophenol
- Aatox
- BNP 20
- BNP 30
- Basanite
- Butaphen
- Butaphene
- Caldon
- Chemox P.E.
- Chemox general
- DBNF
- DN 289
- DNBP
- DNOSBP
- DNSBP
- Desicoil
- Dibutox
- Dibutox 20CE
- Dinitro-3
- Dinitrobutylphenol
- Dinosebe
- Dow General
- Dow general weed killer
- Dow selective weed killer
- Dytop
- Elgetol 318
- Ent 1,122
- Gebutox
- Hel-fire
- Hivertox
- Kiloseb
- Ladob
- Laseb
- Liro DNBP
- Nitropone C
- Phenol, 2-(1-methylpropyl)-4,6-dinitro-
- Phenol, 2-sec-butyl-4,6-dinitro-
- Phenotan
- Premerg
- Premerge
- RCRA Waste number P020
- Sinox general
- Sparic
- Spurge
- Subitex
- Tubotox
- Unicrop DNBP
- Vertac dinitro weed killer
- Vertac general weed killer
- Vertac selective weed killer
- WSX-8365
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -204.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.38; -3.38] |
|
|
| log10WS | -3.38 | Aq. Solubility Prediction | |
| log10WS | -3.38 | Estimated Solubility | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 168.710 | ml/mol | McGowan Calculated Property |
| Inp | [1754.00; 1815.00] |
|
|
| Inp | 1800.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Inp | 1802.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Tfus | [316.42; 320.65] | K |
|
| Tfus | 320.65 | K | Aq. Solubility Prediction |
| Tfus | 316.42 ± 0.20 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.18; 550.06] | J/mol×K | [848.90; 1113.97] |
|
| Cp,gas | 491.18 | J/mol×K | 848.90 | Joback Calculated Property |
| Cp,gas | 502.00 | J/mol×K | 893.08 | Joback Calculated Property |
| Cp,gas | 512.24 | J/mol×K | 937.26 | Joback Calculated Property |
| Cp,gas | 522.04 | J/mol×K | 981.43 | Joback Calculated Property |
| Cp,gas | 531.52 | J/mol×K | 1025.61 | Joback Calculated Property |
| Cp,gas | 540.81 | J/mol×K | 1069.79 | Joback Calculated Property |
| Cp,gas | 550.06 | J/mol×K | 1113.97 | Joback Calculated Property |
| ΔfusH | [21.81; 21.81] | kJ/mol | [313.70; 313.70] |
|
| ΔfusH | 21.81 | kJ/mol | 313.70 | NIST |
| ΔfusH | 21.81 | kJ/mol | 313.70 | NIST |
Similar Compounds
Find more compounds similar to Dinoseb.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility 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.
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