- InChI
- InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
- InChI Key
- ZXVONLUNISGICL-UHFFFAOYSA-N
- Formula
- C7H6N2O5
- SMILES
-
Cc1cc([N+](=O)[O-])cc([N+](=O)
[O-])c1O - Molecular Weight1
- 198.13
- CAS
- 534-52-1
- Other Names
-
- 2,4-Dinitro-6-methylphenol
- 2,4-Dinitro-o-cresol
- 2-Methyl-4,6-dinitrophenol
- 3,5-Dinitro-2-hydroxytoluene
- 4,6-DNOC
- 4,6-Dinitro-2-methylphenol
- 4,6-Dinitro-o-cresol
- 4,6-Dinitro-o-cresolo
- 4,6-Dinitro-o-kresol
- 4,6-Dinitrocresol
- 4,6-Dinitrokresol
- 6-Methyl-2,4-dinitrophenol
- Antinonin
- Antinonnin
- Arborol
- C.I. 10310
- Capsine
- Chemsect DNOC
- DINOK
- DNC
- Degrassan
- Dekrysil
- Detal
- Detol
- Dillex
- Dinitro
- Dinitro-o-cresol
- Dinitrocresol
- Dinitrodendtroxal
- Dinitrol
- Dinitrosol
- Dinoc
- Dinurania
- Ditrosol
- Dn
- Dn-dry mix no. 2
- Dnoc
- Dnok
- Dwunitro-o-krezol
- ENT 154
- Effusan
- Effusan 3436
- Elgetol
- Elgetol 30
- Elgetox
- Elipol
- Extrar
- Flavin-Sandoz
- Hedolit
- Hedolite
- K III
- K IV
- Krenite
- Kresamone
- Kresonite-E
- Krezotol 50
- Le dinitrocresol-4,6
- Lipan
- Nitrador
- Nitrofan
- Oranz viktoria
- Prokarbol
- RCRA Waste number P047
- Rafex
- Rafex 35
- Raphatox
- Sandolin
- Sandolin A
- Selinon
- Sinox
- Trifocide
- Trifrina
- Winterwash
- Zahlreiche bezeichnungen
- o-Cresol, 4,6-dinitro-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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.
- 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 |
|---|---|---|---|
| ΔcH°solid | -3332.90 | kJ/mol | NIST |
| ΔfG° | 17.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.05 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -279.00 | kJ/mol | NIST |
| ΔfusH° | 35.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.97 | kJ/mol | Joback Calculated Property |
| log10WS | [-1.46; -1.46] |
|
|
| log10WS | -1.46 | Aq. Sol... | |
| log10WS | -1.46 | Estimat... | |
| logPoct/wat | 1.517 | Crippen Calculated Property | |
| McVol | 126.440 | ml/mol | McGowan Calculated Property |
| Pc | 4987.39 | kPa | Joback Calculated Property |
| Inp | [274.10; 1634.60] |
|
|
| Inp | 1564.00 | NIST | |
| Inp | 1634.60 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 274.10 | NIST | |
| Inp | 275.47 | NIST | |
| Inp | 274.10 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1634.60 | NIST | |
| Tboil | 780.50 | K | Joback Calculated Property |
| Tc | 1059.76 | K | Joback Calculated Property |
| Tfus | [359.00; 360.25] | K |
|
| Tfus | 359.75 | K | Aq. Sol... |
| Tfus | 360.25 ± 0.20 | K | NIST |
| Tfus | 359.00 ± 0.20 | K | NIST |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.95; 379.80] | J/mol×K | [780.50; 1059.76] |
|
| Cp,gas | 334.95 | J/mol×K | 780.50 | Joback Calculated Property |
| Cp,gas | 343.28 | J/mol×K | 827.04 | Joback Calculated Property |
| Cp,gas | 351.09 | J/mol×K | 873.59 | Joback Calculated Property |
| Cp,gas | 358.52 | J/mol×K | 920.13 | Joback Calculated Property |
| Cp,gas | 365.69 | J/mol×K | 966.67 | Joback Calculated Property |
| Cp,gas | 372.74 | J/mol×K | 1013.21 | Joback Calculated Property |
| Cp,gas | 379.80 | J/mol×K | 1059.76 | Joback Calculated Property |
| ΔfusH | [19.41; 19.41] | kJ/mol | [359.30; 359.30] |
|
| ΔfusH | 19.41 | kJ/mol | 359.30 | NIST |
| ΔfusH | 19.41 | kJ/mol | 359.30 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2-methyl, 4,6-dinitro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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