Chemical Properties of 3-Methyl-2-nitrophenol (CAS 4920-77-8)

InChI

InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3

InChI Key

QIORDSKCCHRSSD-UHFFFAOYSA-N

Formula

C7H7NO3

SMILES

Cc1cccc(O)c1[N+](=O)[O-]

Molecular Weight¹

153.14

CAS

4920-77-8

Other Names

• 2-Nitro-3-hydroxytoluene
• 2-nitro-m-cresol
• Phenol, 3-methyl-2-nitro-
• m-Cresol, 2-nitro-

• 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°	-8.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-150.82	kJ/mol	Joback Calculated Property
ΔfusH°	24.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.72	kJ/mol	Joback Calculated Property
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	1.609		Crippen Calculated Property
McVol	109.020	ml/mol	McGowan Calculated Property
Pc	5008.59	kPa	Joback Calculated Property
Inp	[1267.00; 1308.00]
Inp	1267.00		NIST
Inp	1306.00		NIST
Inp	1308.00		NIST
Inp	1267.00		NIST
Tboil	623.68	K	Joback Calculated Property
Tc	883.67	K	Joback Calculated Property
Tfus	462.92	K	Joback Calculated Property
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.28; 310.10]	J/mol×K	[623.68; 883.67]
Cp,gas	262.28	J/mol×K	623.68	Joback Calculated Property
Cp,gas	271.81	J/mol×K	667.01	Joback Calculated Property
Cp,gas	280.56	J/mol×K	710.34	Joback Calculated Property
Cp,gas	288.66	J/mol×K	753.67	Joback Calculated Property
Cp,gas	296.21	J/mol×K	797.01	Joback Calculated Property
Cp,gas	303.32	J/mol×K	840.34	Joback Calculated Property
Cp,gas	310.10	J/mol×K	883.67	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[339.89; 604.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.01729e+01
Coefficient B			-2.52676e+03
Coefficient C			-8.42820e+01
Temperature range, min.			339.89
Temperature range, max.			604.05
Pvap	1.33	kPa	339.89	Calculated Property
Pvap	3.69	kPa	369.24	Calculated Property
Pvap	8.45	kPa	398.59	Calculated Property
Pvap	16.78	kPa	427.94	Calculated Property
Pvap	29.93	kPa	457.29	Calculated Property
Pvap	49.06	kPa	486.65	Calculated Property
Pvap	75.19	kPa	516.00	Calculated Property
Pvap	109.14	kPa	545.35	Calculated Property
Pvap	151.50	kPa	574.70	Calculated Property
Pvap	202.66	kPa	604.05	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-2-nitrophenol.

Sources

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

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