Chemical Properties of 3,4-Hexanediol, 3,4-bis(4-hydroxyphenyl)-

InChI

InChI=1S/C18H22O4/c1-3-17(21,13-5-9-15(19)10-6-13)18(22,4-2)14-7-11-16(20)12-8-14/h5-12,19-22H,3-4H2,1-2H3

InChI Key

MOGCNGHSEICQCE-UHFFFAOYSA-N

Formula

C18H22O4

SMILES

CCC(O)(c1ccc(O)cc1)C(O)(CC)c1ccc(O)cc1

Molecular Weight¹

302.37

Other Names

• 3,4-Bis(p-hydroxyphenyl)-3,4-hexanediol
• «alpha»,«alpha»'-Dihydroxydiethylstilbestrol
• 3,4-Hexanediol, 3,4-bis(p-hydroxyphenyl)-
• 3,4-bis(4-hydroxyphenyl)hexane-3,4-diol

• 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).
• 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 Pressure, 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	[328.67; 796.03]	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			-1.37488e+02
Coefficient B			2.18484e+00
Coefficient C			-1.93492e-03
Coefficient D			6.83600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.67	J/mol×K	273.00	Calculated Property
Cp,gas	423.56	J/mol×K	353.78	Calculated Property
Cp,gas	502.66	J/mol×K	434.56	Calculated Property
Cp,gas	568.13	J/mol×K	515.33	Calculated Property
Cp,gas	622.15	J/mol×K	596.11	Calculated Property
Cp,gas	666.88	J/mol×K	676.89	Calculated Property
Cp,gas	704.46	J/mol×K	757.67	Calculated Property
Cp,gas	737.08	J/mol×K	838.44	Calculated Property
Cp,gas	766.88	J/mol×K	919.22	Calculated Property
Cp,gas	796.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000002; 7.3601443e-09]	Pa×s	[695.38; 867.89]	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			-3.14223e+01
Coefficient B			1.10180e+04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			695.38
Temperature range, max.			867.89
η	0.0000002	Pa×s	695.38	Calculated Property
η	0.0000001	Pa×s	714.55	Calculated Property
η	7.5009690e-08	Pa×s	733.72	Calculated Property
η	5.1177944e-08	Pa×s	752.88	Calculated Property
η	3.5587094e-08	Pa×s	772.05	Calculated Property
η	2.5185308e-08	Pa×s	791.22	Calculated Property
η	1.8117765e-08	Pa×s	810.39	Calculated Property
η	1.3233424e-08	Pa×s	829.55	Calculated Property
η	9.8039757e-09	Pa×s	848.72	Calculated Property
η	7.3601443e-09	Pa×s	867.89	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Hexanediol, 3,4-bis(4-hydroxyphenyl)-.

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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