Chemical Properties of 2,4,6-Trihydroxytoluene (CAS 88-03-9)

InChI

InChI=1S/C7H8O3/c1-4-6(9)2-5(8)3-7(4)10/h2-3,8-10H,1H3

InChI Key

BPHYZRNTQNPLFI-UHFFFAOYSA-N

Formula

C7H8O3

SMILES

Cc1c(O)cc(O)cc1O

Molecular Weight¹

140.14

CAS

88-03-9

Other Names

• 1,3,5-Benzenetriol, 2-methyl-
• 2-Methyl-1,3,5-benzenetriol
• 2-Methylphloroglucinol
• Methylphloroglucinol
• Phloroglucinol, methyl-
• Toluene-2,4,6-triol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate 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	[147.38; 329.20]	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			-6.41400e+01
Coefficient B			1.05372e+00
Coefficient C			-1.15728e-03
Coefficient D			4.96900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.38	J/mol×K	273.00	Calculated Property
Cp,gas	185.80	J/mol×K	353.78	Calculated Property
Cp,gas	216.00	J/mol×K	434.56	Calculated Property
Cp,gas	239.54	J/mol×K	515.33	Calculated Property
Cp,gas	258.01	J/mol×K	596.11	Calculated Property
Cp,gas	272.98	J/mol×K	676.89	Calculated Property
Cp,gas	286.01	J/mol×K	757.67	Calculated Property
Cp,gas	298.67	J/mol×K	838.44	Calculated Property
Cp,gas	312.55	J/mol×K	919.22	Calculated Property
Cp,gas	329.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000095; 0.0000010]	Pa×s	[530.23; 617.19]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.76764e+01
Coefficient B			8.54132e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			530.23
Temperature range, max.			617.19
η	0.0000095	Pa×s	530.23	Calculated Property
η	0.0000071	Pa×s	539.89	Calculated Property
η	0.0000054	Pa×s	549.55	Calculated Property
η	0.0000041	Pa×s	559.22	Calculated Property
η	0.0000032	Pa×s	568.88	Calculated Property
η	0.0000025	Pa×s	578.54	Calculated Property
η	0.0000019	Pa×s	588.20	Calculated Property
η	0.0000015	Pa×s	597.86	Calculated Property
η	0.0000012	Pa×s	607.52	Calculated Property
η	0.0000010	Pa×s	617.19	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trihydroxytoluene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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