Chemical Properties of Benzenamine, 2-methoxy- (CAS 90-04-0)

InChI

InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChI Key

VMPITZXILSNTON-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

COc1ccccc1N

Molecular Weight¹

123.15

CAS

90-04-0

Other Names

• 1-Amino-2-methoxybenzene
• 2-Aminoanisole
• 2-Aminomethoxybenzene
• 2-Anisidine
• 2-Methoxy-1-aminobenzene
• 2-Methoxy-phenylamine
• 2-Methoxyaniline
• 2-Methoxybenzenamine
• NSC 3122
• Ortho-anisidine
• o-Aminoanisole
• o-Aminophenol methyl ether
• o-Anisidine
• o-Anisylamine
• o-Methoxyaniline
• o-Methoxyphenylamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.5558		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	905.20	kJ/mol	NIST
BasG	873.30	kJ/mol	NIST
ΔcH°solid	-3994.80 ± 1.30	kJ/mol	NIST
ΔfH°gas	-69.25	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-46.00	kJ/mol	NIST
ΔfusH°	13.92	kJ/mol	Joback Calculated Property
ΔvapH°	61.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.50 ± 0.10	eV	NIST
log10WS	-1.10		Relay (1.0) Calculated Property
logPoct/wat	1.277		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Pc	5846.45	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[1136.00; 1181.00]
Inp	1181.00		NIST
Inp	1142.70		NIST
Inp	1136.00		NIST
Tboil	[497.20; 498.15]	K
Tboil	497.20	K	NIST
Tboil	498.15 ± 1.50	K	NIST
Tc	728.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	279.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.367	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.05; 313.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.91000e+00
Coefficient B			5.29120e-01
Coefficient C			-2.53560e-04
Coefficient D			2.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.05	J/mol×K	273.00	Calculated Property
Cp,gas	165.65	J/mol×K	353.78	Calculated Property
Cp,gas	193.33	J/mol×K	434.56	Calculated Property
Cp,gas	218.20	J/mol×K	515.33	Calculated Property
Cp,gas	240.34	J/mol×K	596.11	Calculated Property
Cp,gas	259.85	J/mol×K	676.89	Calculated Property
Cp,gas	276.82	J/mol×K	757.67	Calculated Property
Cp,gas	291.33	J/mol×K	838.44	Calculated Property
Cp,gas	303.49	J/mol×K	919.22	Calculated Property
Cp,gas	313.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 99.95]	kPa	[334.00; 491.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.71149e+01
Coefficient B			-5.70069e+03
Coefficient C			-3.60160e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			334.00
Temperature range, max.			491.70
Pvap	0.13	kPa	334.00	Calculated Property
Pvap	0.39	kPa	351.52	Calculated Property
Pvap	1.00	kPa	369.04	Calculated Property
Pvap	2.35	kPa	386.57	Calculated Property
Pvap	5.09	kPa	404.09	Calculated Property
Pvap	10.29	kPa	421.61	Calculated Property
Pvap	19.56	kPa	439.13	Calculated Property
Pvap	35.25	kPa	456.66	Calculated Property
Pvap	60.61	kPa	474.18	Calculated Property
Pvap	99.95	kPa	491.70	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-methoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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