Chemical Properties of [1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-di-2-propenyl-

InChI

InChI=1S/C20H22O4/c1-5-7-13-9-15(19(21)17(11-13)23-3)16-10-14(8-6-2)12-18(24-4)20(16)22/h5-6,9-12,21-22H,1-2,7-8H2,3-4H3

InChI Key

KETPSFSOGFKJJY-UHFFFAOYSA-N

Formula

C20H22O4

SMILES

C=CCc1cc(OC)c(O)c(-c2cc(CC=C)cc(OC)c2O)c1

Molecular Weight¹

326.39

Other Names

• 2,2'-Biphenyldiol, 5,5'-diallyl-3,3'-dimethoxy-
• Dehydrodieugenol
• 5,5'-Diallyl-3,3'-dimethoxy-[1,1'-biphenyl]-2,2'-diol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.46	kJ/mol	Joback Calculated Property
ΔvapH°	136.58	kJ/mol	Relay (1.0) Calculated Property
IE	7.42	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	4.239		Crippen Calculated Property
McVol	260.020	ml/mol	McGowan Calculated Property
Inp	[2707.70; 2707.70]
Inp	2707.70		NIST
Inp	2707.70		NIST
Tboil	680.41	K	Relay (1.0) Calculated Property
Tfus	399.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[370.41; 826.75]	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			1.27200e+00
Coefficient B			1.65084e+00
Coefficient C			-1.19496e-03
Coefficient D			3.69600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.41	J/mol×K	273.00	Calculated Property
Cp,gas	452.11	J/mol×K	353.78	Calculated Property
Cp,gas	523.33	J/mol×K	434.56	Calculated Property
Cp,gas	585.24	J/mol×K	515.33	Calculated Property
Cp,gas	639.02	J/mol×K	596.11	Calculated Property
Cp,gas	685.83	J/mol×K	676.89	Calculated Property
Cp,gas	726.84	J/mol×K	757.67	Calculated Property
Cp,gas	763.21	J/mol×K	838.44	Calculated Property
Cp,gas	796.13	J/mol×K	919.22	Calculated Property
Cp,gas	826.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000019; 0.0000003]	Pa×s	[682.46; 816.33]	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			-2.37239e+01
Coefficient B			7.19486e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			682.46
Temperature range, max.			816.33
η	0.0000019	Pa×s	682.46	Calculated Property
η	0.0000015	Pa×s	697.33	Calculated Property
η	0.0000012	Pa×s	712.21	Calculated Property
η	0.0000010	Pa×s	727.08	Calculated Property
η	0.0000008	Pa×s	741.96	Calculated Property
η	0.0000007	Pa×s	756.83	Calculated Property
η	0.0000006	Pa×s	771.71	Calculated Property
η	0.0000005	Pa×s	786.58	Calculated Property
η	0.0000004	Pa×s	801.46	Calculated Property
η	0.0000003	Pa×s	816.33	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-di-2-propenyl-.

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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