Chemical Properties of Dinoseb (CAS 88-85-7)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	40.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-240.25	kJ/mol	Joback Calculated Property
ΔfusH°	39.90	kJ/mol	Joback Calculated Property
ΔvapH°	87.26	kJ/mol	Joback Calculated Property
log10WS	[-3.38; -3.38]
log10WS	-3.38		Aq. Sol...
log10WS	-3.38		Estimat...
logPoct/wat	2.722		Crippen Calculated Property
McVol	168.710	ml/mol	McGowan Calculated Property
Pc	3476.55	kPa	Joback 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
Tboil	848.70	K	Joback Calculated Property
Tc	1113.71	K	Joback Calculated Property
Tfus	[316.42; 320.65]	K
Tfus	320.65	K	Aq. Sol...
Tfus	316.42 ± 0.20	K	NIST
Vc	0.612	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.13; 550.00]	J/mol×K	[848.70; 1113.71]
Cp,gas	491.13	J/mol×K	848.70	Joback Calculated Property
Cp,gas	501.95	J/mol×K	892.87	Joback Calculated Property
Cp,gas	512.19	J/mol×K	937.04	Joback Calculated Property
Cp,gas	521.99	J/mol×K	981.20	Joback Calculated Property
Cp,gas	531.46	J/mol×K	1025.37	Joback Calculated Property
Cp,gas	540.76	J/mol×K	1069.54	Joback Calculated Property
Cp,gas	550.00	J/mol×K	1113.71	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

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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