Chemical Properties of p-Cresidine (CAS 120-71-8)

InChI

InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3

InChI Key

WXWCDTXEKCVRRO-UHFFFAOYSA-N

Formula

C8H11NO

SMILES

COc1ccc(C)cc1N

Molecular Weight¹

137.18

CAS

120-71-8

Other Names

• Benzenamine, 2-methoxy-5-methyl-
• 1-Amino-2-methoxy-5-methylbenzene
• 3-Amino-4-methoxytoluene
• o-Anisidine, 5-methyl-
• Cresidine
• Krezidin
• 2-Methoxy-5-methylaniline
• 4-Methyl-2-aminoanisole
• 5-Methyl-o-anisidine
• 2-Amino-p-cresol methyl ether
• NCI-C02982
• 2-Amino-4-methylanisole
• 2-Methoxy-5-methylbenzenamine
• 3-Amino-p-cresol methyl ether
• 4-Methoxy-m-toluidine
• m-Amino-p-cresol, methyl ester
• Azoic Red 36
• C.I. Azoic Red 83
• p-Kresidin
• Krezidine
• NSC 406904
• 6-methoxy-m-toluidine

• ω : Acentric Factor.
• 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
ω	0.5310		Relay (1.0) Calculated Property
ΔfH°gas	-107.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.12	kJ/mol	Joback Calculated Property
ΔvapH°	63.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-1.61		Relay (1.0) Calculated Property
logPoct/wat	1.586		Crippen Calculated Property
McVol	115.670	ml/mol	McGowan Calculated Property
Pc	3695.46	kPa	Joback Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
Tboil	508.20	K	NIST
Tc	727.56	K	Relay (1.0) Calculated Property
Tfus	316.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[158.81; 361.92]	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			2.23000e+01
Coefficient B			5.64640e-01
Coefficient C			-2.40920e-04
Coefficient D			1.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.81	J/mol×K	273.00	Calculated Property
Cp,gas	192.61	J/mol×K	353.78	Calculated Property
Cp,gas	223.48	J/mol×K	434.56	Calculated Property
Cp,gas	251.47	J/mol×K	515.33	Calculated Property
Cp,gas	276.65	J/mol×K	596.11	Calculated Property
Cp,gas	299.05	J/mol×K	676.89	Calculated Property
Cp,gas	318.72	J/mol×K	757.67	Calculated Property
Cp,gas	335.73	J/mol×K	838.44	Calculated Property
Cp,gas	350.11	J/mol×K	919.22	Calculated Property
Cp,gas	361.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Cresidine.

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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