Chemical Properties of Phenol, 2,4,6-tris[(dimethylamino)methyl]- (CAS 90-72-2)

InChI

InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3

InChI Key

AHDSRXYHVZECER-UHFFFAOYSA-N

Formula

C15H27N3O

SMILES

CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1

Molecular Weight¹

265.39

CAS

90-72-2

Other Names

• Mesitol, «alpha»,«alpha»',«alpha»''-tris(dimethylamino)-
• «alpha»,«alpha»',«alpha»''-Tri(dimethylamino)mesitol
• «alpha»,«alpha»',«alpha»''-Tris(dimethylamino)mesitol
• DMF 3
• DMP 30
• Mesitol, «alpha»2,«alpha»4,«alpha»6-Tris(dimethylamino)-
• Tris(2,4,6-dimethylaminomethyl)phenol
• Tris(2,4,6-dimethylaminomonomethyl)phenol
• 2,4,6-Tri(dimethylaminomethyl)phenol
• 2,4,6-Tris[(dimethylamino)methyl]phenol
• 2,4,6-Tris[(N,N-dimethylamino)methyl]phenol
• S 41028-4
• 2,4,6-Tris-N,N-dimethylaminomethylfenol
• 2,4,6-Tris[(dimethyllamino)methyl]-phenol
• Actiron NX 3
• Ancamine K 54
• Anchor K 54
• Araldite DY 061
• Araldite DY 064
• Araldite Hardener HY 960
• Araldite HY 960
• Capcure EH 30
• Dabco TMR 30
• DY 061
• EH 30
• Epilink 230
• NSC 3257
• Sumicure D
• UP 606/2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.95; 805.09]	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			-5.70470e+01
Coefficient B			1.75732e+00
Coefficient C			-1.28348e-03
Coefficient D			3.88300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.95	J/mol×K	273.00	Calculated Property
Cp,gas	421.21	J/mol×K	353.78	Calculated Property
Cp,gas	496.10	J/mol×K	434.56	Calculated Property
Cp,gas	560.85	J/mol×K	515.33	Calculated Property
Cp,gas	616.68	J/mol×K	596.11	Calculated Property
Cp,gas	664.83	J/mol×K	676.89	Calculated Property
Cp,gas	706.51	J/mol×K	757.67	Calculated Property
Cp,gas	742.97	J/mol×K	838.44	Calculated Property
Cp,gas	775.42	J/mol×K	919.22	Calculated Property
Cp,gas	805.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,4,6-tris[(dimethylamino)methyl]-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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