Chemical Properties of Benzenamine, 2-methoxy-N,N-dimethyl- (CAS 700-75-4)

InChI

InChI=1S/C9H13NO/c1-10(2)8-6-4-5-7-9(8)11-3/h4-7H,1-3H3

InChI Key

XQFJDFIHJKPUEL-UHFFFAOYSA-N

Formula

C9H13NO

SMILES

COc1ccccc1N(C)C

Molecular Weight¹

151.21

CAS

700-75-4

Other Names

• Benzene, 1-methoxy-2-dimethylamino-
• Benzene, 1-dimethylamino-2-methoxy-
• 2-Methoxy-N,N-dimethylaniline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-53.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.93	kJ/mol	Joback Calculated Property
ΔvapH°	63.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.59 ± 0.02	eV	NIST
log10WS	-1.73		Relay (1.0) Calculated Property
logPoct/wat	1.761		Crippen Calculated Property
McVol	129.760	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1213.00; 1213.00]
Inp	1213.00		NIST
Inp	1213.00		NIST
Tboil	505.61	K	Relay (1.0) Calculated Property
Tc	704.23	K	Relay (1.0) Calculated Property
Tfus	270.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.61; 418.61]	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			-1.00900e+01
Coefficient B			7.81160e-01
Coefficient C			-4.31560e-04
Coefficient D			7.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.61	J/mol×K	273.00	Calculated Property
Cp,gas	215.76	J/mol×K	353.78	Calculated Property
Cp,gas	254.36	J/mol×K	434.56	Calculated Property
Cp,gas	288.68	J/mol×K	515.33	Calculated Property
Cp,gas	318.97	J/mol×K	596.11	Calculated Property
Cp,gas	345.47	J/mol×K	676.89	Calculated Property
Cp,gas	368.43	J/mol×K	757.67	Calculated Property
Cp,gas	388.11	J/mol×K	838.44	Calculated Property
Cp,gas	404.75	J/mol×K	919.22	Calculated Property
Cp,gas	418.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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