Chemical Properties of 1,1'-Binaphthalene (CAS 604-53-5)

InChI

InChI=1S/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

InChI Key

ZDZHCHYQNPQSGG-UHFFFAOYSA-N

Formula

C20H14

SMILES

c1ccc2c(-c3cccc4ccccc34)cccc2c1

Molecular Weight¹

254.33

CAS

604-53-5

Other Names

• 1,1'-Binaphthyl
• «alpha»,«alpha»'-Dinaphthylene
• 1,1'-Dinaphthyl
• Di-«alpha»-naphthol
• 1,1'-Binaphtyl

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5260		Relay (1.0) Calculated Property
ΔcH°solid	-10040.00	kJ/mol	NIST
ΔfG°	536.38	kJ/mol	Joback Calculated Property
ΔfH°gas	331.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	111.65	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-7.37		Relay (1.0) Calculated Property
logPoct/wat	5.660		Crippen Calculated Property
McVol	206.220	ml/mol	McGowan Calculated Property
Pc	2460.47	kPa	Joback Calculated Property
Inp	[385.23; 2381.00]
Inp	Outlier 2381.00		NIST
Inp	390.00		NIST
Inp	385.23		NIST
Inp	388.38		NIST
Inp	402.77		NIST
Inp	402.77		NIST
Inp	386.10		NIST
Inp	388.38		NIST
Inp	402.77		NIST
Tboil	712.92	K	Relay (1.0) Calculated Property
Tc	1005.88	K	Relay (1.0) Calculated Property
Tfus	[421.50; 433.80]	K
Tfus	421.50 ± 5.00	K	NIST
Tfus	433.80 ± 2.00	K	NIST
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.35; 626.45]	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			-1.17390e+02
Coefficient B			1.61960e+00
Coefficient C			-1.26596e-03
Coefficient D			3.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.35	J/mol×K	273.00	Calculated Property
Cp,gas	314.42	J/mol×K	353.78	Calculated Property
Cp,gas	379.37	J/mol×K	434.56	Calculated Property
Cp,gas	434.45	J/mol×K	515.33	Calculated Property
Cp,gas	480.87	J/mol×K	596.11	Calculated Property
Cp,gas	519.88	J/mol×K	676.89	Calculated Property
Cp,gas	552.71	J/mol×K	757.67	Calculated Property
Cp,gas	580.59	J/mol×K	838.44	Calculated Property
Cp,gas	604.76	J/mol×K	919.22	Calculated Property
Cp,gas	626.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017210; 0.0003902]	Pa×s	[427.65; 720.07]	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			-1.00194e+01
Coefficient B			1.56284e+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.			427.65
Temperature range, max.			720.07
η	0.0017210	Pa×s	427.65	Calculated Property
η	0.0013295	Pa×s	460.14	Calculated Property
η	0.0010627	Pa×s	492.63	Calculated Property
η	0.0008733	Pa×s	525.12	Calculated Property
η	0.0007343	Pa×s	557.61	Calculated Property
η	0.0006293	Pa×s	590.11	Calculated Property
η	0.0005480	Pa×s	622.60	Calculated Property
η	0.0004839	Pa×s	655.09	Calculated Property
η	0.0004323	Pa×s	687.58	Calculated Property
η	0.0003902	Pa×s	720.07	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Binaphthalene.

Sources

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

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