Chemical Properties of 1,3-Bis([1,1'-biphenyl]-4-yloxy)-2-propanol (CAS 22820-60-6)

InChI

InChI=1S/C27H24O3/c28-25(19-29-26-15-11-23(12-16-26)21-7-3-1-4-8-21)20-30-27-17-13-24(14-18-27)22-9-5-2-6-10-22/h1-18,25,28H,19-20H2

InChI Key

SWSSHWKHGNWTHJ-UHFFFAOYSA-N

Formula

C27H24O3

SMILES

OC(COc1ccc(-c2ccccc2)cc1)COc1ccc(-c2ccccc2)cc1

Molecular Weight¹

396.48

CAS

22820-60-6

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.32; 988.31]	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			-7.40680e+01
Coefficient B			2.04770e+00
Coefficient C			-1.24732e-03
Coefficient D			2.62000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.32	J/mol×K	273.00	Calculated Property
Cp,gas	505.85	J/mol×K	353.78	Calculated Property
Cp,gas	601.73	J/mol×K	434.56	Calculated Property
Cp,gas	685.79	J/mol×K	515.33	Calculated Property
Cp,gas	758.85	J/mol×K	596.11	Calculated Property
Cp,gas	821.76	J/mol×K	676.89	Calculated Property
Cp,gas	875.33	J/mol×K	757.67	Calculated Property
Cp,gas	920.39	J/mol×K	838.44	Calculated Property
Cp,gas	957.78	J/mol×K	919.22	Calculated Property
Cp,gas	988.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000764; 0.0000053]	Pa×s	[615.05; 926.14]	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			-1.74234e+01
Coefficient B			4.88551e+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.			615.05
Temperature range, max.			926.14
η	0.0000764	Pa×s	615.05	Calculated Property
η	0.0000500	Pa×s	649.62	Calculated Property
η	0.0000342	Pa×s	684.18	Calculated Property
η	0.0000243	Pa×s	718.75	Calculated Property
η	0.0000178	Pa×s	753.31	Calculated Property
η	0.0000134	Pa×s	787.88	Calculated Property
η	0.0000103	Pa×s	822.44	Calculated Property
η	0.0000081	Pa×s	857.01	Calculated Property
η	0.0000065	Pa×s	891.57	Calculated Property
η	0.0000053	Pa×s	926.14	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Bis([1,1'-biphenyl]-4-yloxy)-2-propanol.

Sources

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

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