Chemical Properties of 2,2'-Binaphthalene (CAS 612-78-2)

InChI

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

InChI Key

MSBVBOUOMVTWKE-UHFFFAOYSA-N

Formula

C20H14

SMILES

c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1

Molecular Weight¹

254.33

CAS

612-78-2

Other Names

• 2,2'-Binaphthyl
• «beta»,«beta»'-Binaphthyl
• 2,2'-Dinaphthyl
• 2,2-Binahthalene

• ω : Acentric Factor.
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.5412		Relay (1.0) Calculated Property
ΔfG°	536.38	kJ/mol	Joback Calculated Property
ΔfH°gas	341.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	116.18	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-8.06		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	[412.00; 426.90]
Inp	425.00		NIST
Inp	424.01		NIST
Inp	426.90		NIST
Inp	Outlier 412.00		NIST
Inp	426.40		NIST
Inp	421.81		NIST
Inp	423.91		NIST
Inp	421.55		NIST
Inp	421.55		NIST
Inp	421.30		NIST
Inp	424.40		NIST
Inp	422.40		NIST
Inp	425.10		NIST
Inp	423.91		NIST
Inp	421.55		NIST
Inp	425.10		NIST
Tboil	725.45	K	Relay (1.0) Calculated Property
Tc	1007.58	K	Relay (1.0) Calculated Property
Tfus	[460.80; 461.90]	K
Tfus	461.20 ± 0.60	K	NIST
Tfus	461.90 ± 1.50	K	NIST
Tfus	460.80 ± 2.00	K	NIST
Vc	0.781	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[38.90; 38.90]	kJ/mol	[461.20; 461.20]
ΔfusH	38.90	kJ/mol	461.20	NIST
ΔfusH	38.90	kJ/mol	461.20	NIST
ΔfusS	84.40	J/mol×K	461.20	NIST

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	[0.0013182; 0.0003902]	Pa×s	[461.30; 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
Temperature range, min.			461.30
Temperature range, max.			720.07
η	0.0013182	Pa×s	461.30	Calculated Property
η	0.0010806	Pa×s	490.05	Calculated Property
η	0.0009055	Pa×s	518.80	Calculated Property
η	0.0007731	Pa×s	547.56	Calculated Property
η	0.0006705	Pa×s	576.31	Calculated Property
η	0.0005894	Pa×s	605.06	Calculated Property
η	0.0005242	Pa×s	633.81	Calculated Property
η	0.0004710	Pa×s	662.57	Calculated Property
η	0.0004270	Pa×s	691.32	Calculated Property
η	0.0003902	Pa×s	720.07	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-Binaphthalene.

Sources

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

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