Chemical Properties of 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-

InChI

InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3

InChI Key

KUMMBDBTERQYCG-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

Cc1cc(CO)c(O)c(CO)c1

Molecular Weight¹

168.19

Other Names

• «alpha»1,«alpha»3-Mesitylenediol, 2-hydroxy-
• «alpha»1,«alpha»3, 2-Trihydroxymesitylene
• 2,6-Bis(hydroxymethyl)-p-cresol
• 2,6-Bis(hydroxymethyl)-4-methylphenol
• 2,6-Di(hydroxymethyl)-p-cresol
• 2,6-Dimethylol-p-cresol
• 2,6-Dimethylol-4-methylphenol
• 2-Hydroxy-5-methyl-1,3-benzenedimethanol
• 4-Methyl-2,6-bis(hydroxymethyl)-phenol
• NSC 15838
• A^1,a^3-mesityllenediol, 2-hydroxy-
• 3,5-bis(hydroxymethyl)-p-cresol
• A

• 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).
• 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).
• 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 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	[186.14; 418.80]	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			-8.93800e+00
Coefficient B			8.83520e-01
Coefficient C			-6.80080e-04
Coefficient D			2.24300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.14	J/mol×K	273.00	Calculated Property
Cp,gas	228.45	J/mol×K	353.78	Calculated Property
Cp,gas	264.98	J/mol×K	434.56	Calculated Property
Cp,gas	296.46	J/mol×K	515.33	Calculated Property
Cp,gas	323.59	J/mol×K	596.11	Calculated Property
Cp,gas	347.07	J/mol×K	676.89	Calculated Property
Cp,gas	367.63	J/mol×K	757.67	Calculated Property
Cp,gas	385.96	J/mol×K	838.44	Calculated Property
Cp,gas	402.78	J/mol×K	919.22	Calculated Property
Cp,gas	418.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001866; 0.0000048]	Pa×s	[476.01; 632.46]	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			-2.33779e+01
Coefficient B			7.04074e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			476.01
Temperature range, max.			632.46
η	0.0001866	Pa×s	476.01	Calculated Property
η	0.0001108	Pa×s	493.39	Calculated Property
η	0.0000682	Pa×s	510.78	Calculated Property
η	0.0000433	Pa×s	528.16	Calculated Property
η	0.0000283	Pa×s	545.54	Calculated Property
η	0.0000190	Pa×s	562.93	Calculated Property
η	0.0000131	Pa×s	580.31	Calculated Property
η	0.0000092	Pa×s	597.69	Calculated Property
η	0.0000066	Pa×s	615.08	Calculated Property
η	0.0000048	Pa×s	632.46	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-.

Sources

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

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