Chemical Properties of Dinitro-2,6-phenol

InChI

InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H

InChI Key

JCRIDWXIBSEOEG-UHFFFAOYSA-N

Formula

C6H4N2O5

SMILES

O=[N+]([O-])c1cccc([N+](=O)[O-])c1O

Molecular Weight¹

184.11

Other Names

• o-Dinitrophenol
• Phenol, «beta»-dinitro-
• 2,6-Dinitrophenol
• «beta»-Dinitrophenol
• 2,6-Dinitrofenol
• Dinitro-2,6-phenol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2723.10; -2722.80]	kJ/mol
ΔcH°solid	-2723.10 ± 3.20	kJ/mol	NIST
ΔcH°solid	-2722.80 ± 2.70	kJ/mol	NIST
ΔfH°gas	-108.00	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-209.60 ± 3.30	kJ/mol	NIST
ΔfusH°	33.45	kJ/mol	Joback Calculated Property
ΔvapH°	76.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-2.61		Relay (1.0) Calculated Property
logPoct/wat	1.209		Crippen Calculated Property
McVol	112.350	ml/mol	McGowan Calculated Property
Tboil	523.76	K	Relay (1.0) Calculated Property
Tfus	[336.00; 385.00]	K
Tfus	336.00 ± 0.20	K	NIST
Tfus	385.00 ± 3.00	K	NIST

Cheméo can also estimate 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	[287.91; 327.23]	J/mol×K	[752.64; 1038.65]
Cp,gas	287.91	J/mol×K	752.64	Joback Calculated Property
Cp,gas	295.32	J/mol×K	800.31	Joback Calculated Property
Cp,gas	302.18	J/mol×K	847.98	Joback Calculated Property
Cp,gas	308.65	J/mol×K	895.64	Joback Calculated Property
Cp,gas	314.88	J/mol×K	943.31	Joback Calculated Property
Cp,gas	321.02	J/mol×K	990.98	Joback Calculated Property
Cp,gas	327.23	J/mol×K	1038.65	Joback Calculated Property
ΔfusH	[19.58; 22.91]	kJ/mol	[329.00; 336.00]
ΔfusH	22.91	kJ/mol	329.00	NIST
ΔfusH	19.58	kJ/mol	336.00	NIST
ΔfusH	19.58	kJ/mol	336.00	NIST
ΔfusH	19.58	kJ/mol	336.00	NIST
ΔsubH	[112.10; 112.10]	kJ/mol	[293.00; 313.00]
ΔsubH	112.10 ± 4.20	kJ/mol	293.00	NIST
ΔsubH	112.10 ± 4.20	kJ/mol	313.00	NIST
ΔsubH	112.10 ± 4.20	kJ/mol	313.00	NIST
ΔfusS	58.26	J/mol×K	336.00	NIST

Similar Compounds

Find more compounds similar to Dinitro-2,6-phenol.

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
• Crippen Method
• 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.