Chemical Properties of [1,1'-Binaphthalene]-3,3',4,4'-tetrol, tetra-acetate

InChI

InChI=1S/C28H22O8/c1-15(29)33-25-13-23(19-9-5-7-11-21(19)27(25)35-17(3)31)24-14-26(34-16(2)30)28(36-18(4)32)22-12-8-6-10-20(22)24/h5-14H,1-4H3

InChI Key

VTTKKLWKTBQZKA-UHFFFAOYSA-N

Formula

C28H22O8

SMILES

CC(=O)Oc1cc(-c2cc(OC(C)=O)c(OC(C)=O)c3ccccc23)c2ccccc2c1OC(C)=O

Molecular Weight¹

486.48

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[483.61; 1059.45]	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			3.41700e+01
Coefficient B			1.92248e+00
Coefficient C			-1.05460e-03
Coefficient D			1.57400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.61	J/mol×K	273.00	Calculated Property
Cp,gas	589.28	J/mol×K	353.78	Calculated Property
Cp,gas	683.36	J/mol×K	434.56	Calculated Property
Cp,gas	766.36	J/mol×K	515.33	Calculated Property
Cp,gas	838.77	J/mol×K	596.11	Calculated Property
Cp,gas	901.10	J/mol×K	676.89	Calculated Property
Cp,gas	953.83	J/mol×K	757.67	Calculated Property
Cp,gas	997.46	J/mol×K	838.44	Calculated Property
Cp,gas	1032.51	J/mol×K	919.22	Calculated Property
Cp,gas	1059.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001397; 0.0000423]	Pa×s	[768.00; 1023.62]	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			-1.36548e+01
Coefficient B			3.66996e+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.			768.00
Temperature range, max.			1023.62
η	0.0001397	Pa×s	768.00	Calculated Property
η	0.0001178	Pa×s	796.40	Calculated Property
η	0.0001005	Pa×s	824.81	Calculated Property
η	0.0000867	Pa×s	853.21	Calculated Property
η	0.0000755	Pa×s	881.61	Calculated Property
η	0.0000663	Pa×s	910.01	Calculated Property
η	0.0000586	Pa×s	938.42	Calculated Property
η	0.0000523	Pa×s	966.82	Calculated Property
η	0.0000469	Pa×s	995.22	Calculated Property
η	0.0000423	Pa×s	1023.62	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Binaphthalene]-3,3',4,4'-tetrol, tetra-acetate.

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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