Chemical Properties of «alpha»,«alpha»'-Dihydroxy-m-diisopropylbenzene (CAS 1999-85-5)

InChI

InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3

InChI Key

UGPWRRVOLLMHSC-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CC(C)(O)c1cccc(C(C)(C)O)c1

Molecular Weight¹

194.27

CAS

1999-85-5

Other Names

• 1,3-Benzenedimethanol, «alpha»,«alpha»,«alpha»',«alpha»'-tetramethyl-
• «alpha»,«alpha»,«alpha»',«alpha»'-tetramethyl-m-xylene-«alpha»,«alpha»'-diol
• 1,3-Di(2'-hydroxy isopropyl) benzene

• ω : Acentric Factor.
• 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 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	[227.42; 557.13]	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			-6.59900e+01
Coefficient B			1.32508e+00
Coefficient C			-9.97560e-04
Coefficient D			2.95600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.42	J/mol×K	273.00	Calculated Property
Cp,gas	291.03	J/mol×K	353.78	Calculated Property
Cp,gas	345.71	J/mol×K	434.56	Calculated Property
Cp,gas	392.40	J/mol×K	515.33	Calculated Property
Cp,gas	432.04	J/mol×K	596.11	Calculated Property
Cp,gas	465.56	J/mol×K	676.89	Calculated Property
Cp,gas	493.89	J/mol×K	757.67	Calculated Property
Cp,gas	517.97	J/mol×K	838.44	Calculated Property
Cp,gas	538.74	J/mol×K	919.22	Calculated Property
Cp,gas	557.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036683; 0.0000241]	Pa×s	[390.42; 617.11]	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			-1.92927e+01
Coefficient B			5.34278e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			390.42
Temperature range, max.			617.11
η	0.0036683	Pa×s	390.42	Calculated Property
η	0.0016006	Pa×s	415.61	Calculated Property
η	0.0007678	Pa×s	440.80	Calculated Property
η	0.0003988	Pa×s	465.98	Calculated Property
η	0.0002215	Pa×s	491.17	Calculated Property
η	0.0001303	Pa×s	516.36	Calculated Property
η	0.0000805	Pa×s	541.55	Calculated Property
η	0.0000519	Pa×s	566.73	Calculated Property
η	0.0000348	Pa×s	591.92	Calculated Property
η	0.0000241	Pa×s	617.11	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»,«alpha»'-Dihydroxy-m-diisopropylbenzene.

Sources

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

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