Chemical Properties of Alpha,alpha'-bis(dimethylamino)-4,4'-di-o-cresol (CAS 10554-73-1)

InChI

InChI=1S/C18H24N2O2/c1-19(2)11-15-9-13(5-7-17(15)21)14-6-8-18(22)16(10-14)12-20(3)4/h5-10,21-22H,11-12H2,1-4H3

InChI Key

ZQVLGUNSVGXEGL-UHFFFAOYSA-N

Formula

C18H24N2O2

SMILES

CN(C)Cc1cc(-c2ccc(O)c(CN(C)C)c2)ccc1O

Molecular Weight¹

300.40

CAS

10554-73-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[342.71; 825.73]	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			-9.19080e+01
Coefficient B			1.99408e+00
Coefficient C			-1.62164e-03
Coefficient D			5.45200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.71	J/mol×K	273.00	Calculated Property
Cp,gas	434.73	J/mol×K	353.78	Calculated Property
Cp,gas	513.14	J/mol×K	434.56	Calculated Property
Cp,gas	579.67	J/mol×K	515.33	Calculated Property
Cp,gas	636.03	J/mol×K	596.11	Calculated Property
Cp,gas	683.95	J/mol×K	676.89	Calculated Property
Cp,gas	725.16	J/mol×K	757.67	Calculated Property
Cp,gas	761.37	J/mol×K	838.44	Calculated Property
Cp,gas	794.32	J/mol×K	919.22	Calculated Property
Cp,gas	825.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Alpha,alpha'-bis(dimethylamino)-4,4'-di-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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