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This historical page is being kept for research or reference
purposes and will not be updated.

This historical page is being kept for research or reference
purposes and will not be updated.

Properties of DNOC

DNOC (CAS No. 534-52-1) is a yellow crystalline solid at ambient temperature (U.S. EPA, 1986a). It is also referred to as 2,4-dinitro-6-methylphenol; phenol, 2-methyl-4,6-dinitro-; 3,5-dinitro-2-hydroxytoluene; 4,6-dinitro-2-methylphenol; 6-methyl-2,4-dinitrophenol; Antinonin; Antinonnin; Arborol; Degrassan; Dekrysil; Detal; Dillex; and Kreozan.

Physical and chemical properties of DNOC, both measured and predicted, are presented in Table 1.

Table 1: Physical and chemical properties of DNOC
Measured Predicted
Value Referen-
ces1		 Value Model
Molecular formula C7H6N2O5 1
Molecular mass 198.1348 1
Melting point (°C) 86.6
85.8		 2
3		 121.23
87.0		 EPIWIN (v. 3.11)
ASTER
Boiling point (°C) 378
220		 23 344.23
401.38
364		 EPIWIN (v. 3.11)
MMP (v. 1.44)
ASTER
Density (g/cm3) 1.58 at 20°C 4 2.147 931 MMP (v. 1.40)
Vapour pressure (Pa) 4.31 × 10−2 at 20°C
1.40 × 10−2 at 25°C
4.79 × 10−2 at 35°C
1.6 × 10−2 at 25°C		 4
4
5
6		 7.3 × 10−4
7.4 × 10−8
1.4 × 10−4		 EPIWIN (v. 3.10)
MMP (v. 1.44)
ASTER
Henry’s law constant (Pa·m3/mol) 1.4 × 10−1 at 25°C 4 3.09 × 10−3
4.94 × 10−6
6.49 × 10 −5
4.3 × 10−2
at 20°C		 EPIWIN (v. 3.11) Bond method
EPIWIN (v. 3.11) Group method
EPIWIN (v. 3.11) EPI method
SRC CHEMFATE Database
Octanol/water partition coefficient (log Kow) 2.564
2.12 (neutral species)
1.78 at pH 4
0.087 at pH 7
1.32 at pH 10		 4
7
8
8
8		 2.27
1.91
2.130
1.61
2.1366
2.29
1.809		 EPIWIN (v. 3.11)
PALLAS (v. 4.0)
ClogP (v. 3.3)
Hansch (MMP v. 1.44)
Ghose (MMP v. 1.44)
ASTER
TOPKAT (v. 6.1)
Water solubility (mg/L) 1000 at 15°C
198 at 20°C
21.3 at pH 4
694 at pH 7
3300 at pH10
100 000 (DNOC Na salt)		 1
7
8
8
8
9		 691.9
467.3
48 875.4		 EPIWIN (v. 3.11)
EPIWIN (v. 3.11)
MMP (v. 1.44)
Other solubilities (g/g) 4.3/100 (ethanol)
100/100 (acetone)
37/100 (benzene)		 6
6
6
Organic carbon/water partition coefficient (log Koc) 2.35-2.77
2.564
1.3 (DNOC Na salt)		 5
4
9		 2.779
2.58		 EPIWIN (v. 3.11)
ASTER
Solid/water distribution ratio (Kd) <5 (loam soil with organic matter of 0.8-3%)
1.93		 10


11
pKa 4.4
4.31		 4
2		 4.32 PALLAS (v. 4.0)
Air/water partition coefficient (KAir/water partition coefficient (Kaw) 3.0 × 10−5 at 25ºC 12

1 References:

  1. ChemFinder
  2. SRC PhyProp Database
  3. Verschueren, 2001
  4. HSDB
  5. ATSDR, 1995
  6. IPCS, 2000
  7. Schwarzenbach et al., 1988
  8. UNEP/FAO, 2002
  9. Vogue et al., 1994
  10. U.S. EPA, 1989
  11. Jafvert, 1990
  12. Schwarzenbach et al., 2003

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2022-11-16