Chemical Properties of Phenol, 2,6-dimethyl-4-nitro- (CAS 2423-71-4)

InChI

InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3

InChI Key

FNORUNUDZNWQFF-UHFFFAOYSA-N

Formula

C8H9NO3

SMILES

Cc1cc([N+](=O)[O-])cc(C)c1O

Molecular Weight¹

167.16

CAS

2423-71-4

Other Names

• 2,6-Dimethyl-4-nitrophenol
• 2,6-Xylenol, 4-nitro-
• 4-Nitro-2,6-dimethylphenol
• 4-Nitro-2,6-xylenol

• 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_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).
• P_vap : Vapor 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°	-9.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.93	kJ/mol	Joback Calculated Property
ΔfusH°	26.88	kJ/mol	Joback Calculated Property
ΔvapH°	66.61	kJ/mol	Joback Calculated Property
log10WS	-2.62		Crippen Calculated Property
logPoct/wat	1.917		Crippen Calculated Property
McVol	123.110	ml/mol	McGowan Calculated Property
Pc	4305.56	kPa	Joback Calculated Property
Inp	[1680.00; 1680.00]
Inp	1680.00		NIST
Inp	1680.00		NIST
Tboil	651.54	K	Joback Calculated Property
Tc	906.38	K	Joback Calculated Property
Tfus	486.71	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.80; 359.86]	J/mol×K	[651.54; 906.38]
Cp,gas	306.80	J/mol×K	651.54	Joback Calculated Property
Cp,gas	317.13	J/mol×K	694.01	Joback Calculated Property
Cp,gas	326.73	J/mol×K	736.49	Joback Calculated Property
Cp,gas	335.71	J/mol×K	778.96	Joback Calculated Property
Cp,gas	344.15	J/mol×K	821.43	Joback Calculated Property
Cp,gas	352.17	J/mol×K	863.91	Joback Calculated Property
Cp,gas	359.86	J/mol×K	906.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[311.40; 659.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			8.59786e+00
Coefficient B			-1.88985e+03
Coefficient C			-8.39840e+01
Temperature range, min.			311.40
Temperature range, max.			659.04
Pvap	1.33	kPa	311.40	Calculated Property
Pvap	4.46	kPa	350.03	Calculated Property
Pvap	10.97	kPa	388.65	Calculated Property
Pvap	22.04	kPa	427.28	Calculated Property
Pvap	38.46	kPa	465.91	Calculated Property
Pvap	60.59	kPa	504.53	Calculated Property
Pvap	88.42	kPa	543.16	Calculated Property
Pvap	121.69	kPa	581.79	Calculated Property
Pvap	159.95	kPa	620.41	Calculated Property
Pvap	202.65	kPa	659.04	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-dimethyl-4-nitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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