Chemical Properties of Phenol, 3-methyl-4-nitro- (CAS 2581-34-2)

InChI

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

InChI Key

PIIZYNQECPTVEO-UHFFFAOYSA-N

Formula

C7H7NO3

SMILES

Cc1cc(O)ccc1[N+](=O)[O-]

Molecular Weight¹

153.14

CAS

2581-34-2

Other Names

• 2-Nitro-5-hydroxytoluene
• 3-Methyl-4-nitrophenol
• 4-Nitro-1-hydroxy-3-methylbenzene
• 4-Nitro-3-cresol
• 4-Nitro-3-methylphenol
• 4-Nitro-5-methylphenol
• 4-Nitro-m-cresol
• 5-Hydroxy-2-nitrotoluene
• 5-Methyl-4-nitrophenol
• NSC 69190
• m-Cresol, 4-nitro-
• p-Nitro-m-cresol
• p-Nitro-m-methylphenol

• 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).
• 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°	85.80	kJ/mol	NIST
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	[1222.30; 1225.10]
Inp	1222.30		NIST
Inp	1225.10		NIST
Tboil	623.68	K	Joback Calculated Property
Tc	883.67	K	Joback Calculated Property
Tfus	401.00 ± 0.10	K	NIST
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
ΔfusH	[27.40; 27.40]	kJ/mol	[401.00; 401.00]
ΔfusH	27.40	kJ/mol	401.00	NIST
ΔfusH	27.40	kJ/mol	401.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[332.74; 608.96]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			9.83023e+00
Coefficient B			-2.37090e+03
Coefficient C			-8.42820e+01
Temperature range, min.			332.74
Temperature range, max.			608.96
Pvap	1.33	kPa	332.74	Calculated Property
Pvap	3.81	kPa	363.43	Calculated Property
Pvap	8.83	kPa	394.12	Calculated Property
Pvap	17.60	kPa	424.81	Calculated Property
Pvap	31.30	kPa	455.50	Calculated Property
Pvap	50.97	kPa	486.20	Calculated Property
Pvap	77.46	kPa	516.89	Calculated Property
Pvap	111.36	kPa	547.58	Calculated Property
Pvap	153.04	kPa	578.27	Calculated Property
Pvap	202.65	kPa	608.96	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-methyl-4-nitro-.

Sources

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

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