Chemical Properties of 4-Chloro-a-(dimethylamino)-o-cresol (CAS 54828-00-1)

InChI

InChI=1S/C9H12ClNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3

InChI Key

WPEGHIRPYPPYDO-UHFFFAOYSA-N

Formula

C9H12ClNO

SMILES

CN(C)Cc1cc(Cl)ccc1O

Molecular Weight¹

185.65

CAS

54828-00-1

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[187.50; 430.80]	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			-3.16190e+01
Coefficient B			1.00574e+00
Coefficient C			-8.19320e-04
Coefficient D			2.76000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.50	J/mol×K	273.00	Calculated Property
Cp,gas	233.87	J/mol×K	353.78	Calculated Property
Cp,gas	273.36	J/mol×K	434.56	Calculated Property
Cp,gas	306.86	J/mol×K	515.33	Calculated Property
Cp,gas	335.23	J/mol×K	596.11	Calculated Property
Cp,gas	359.36	J/mol×K	676.89	Calculated Property
Cp,gas	380.10	J/mol×K	757.67	Calculated Property
Cp,gas	398.34	J/mol×K	838.44	Calculated Property
Cp,gas	414.95	J/mol×K	919.22	Calculated Property
Cp,gas	430.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-a-(dimethylamino)-o-cresol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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