Chemical Properties of Naphthalene, 2-phenyl- (CAS 612-94-2)

InChI

InChI=1S/C16H12/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-12H

InChI Key

TURIHPLQSRVWHU-UHFFFAOYSA-N

Formula

C16H12

SMILES

c1ccc(-c2ccc3ccccc3c2)cc1

Molecular Weight¹

204.27

CAS

612-94-2

Other Names

• (.beta.-naphthyl)benzene
• .beta.-phenylnaphthalene
• 2-phenylnaphthalene
• NSC 407592
• «beta»-Phenylnaphthalene

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4447		Relay (1.0) Calculated Property
ΔfG°	405.68	kJ/mol	Joback Calculated Property
ΔfH°gas	288.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.90	kJ/mol	Phase transition thermodynamics of phenyl and biphenyl naphthalenes
ΔsubH°	107.60 ± 0.60	kJ/mol	NIST
ΔvapH°	90.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	NIST
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	4.507		Crippen Calculated Property
McVol	169.320	ml/mol	McGowan Calculated Property
Pc	2884.30	kPa	Joback Calculated Property
Inp	[326.13; 1987.00]
Inp	Outlier 1949.90		NIST
Inp	Outlier 1958.50		NIST
Inp	Outlier 1987.00		NIST
Inp	Outlier 1930.00		NIST
Inp	Outlier 1940.00		NIST
Inp	343.50		NIST
Inp	330.45		NIST
Inp	330.85		NIST
Inp	330.76		NIST
Inp	330.64		NIST
Inp	331.25		NIST
Inp	333.90		NIST
Inp	333.90		NIST
Inp	330.83		NIST
Inp	331.00		NIST
Inp	331.20		NIST
Inp	331.07		NIST
Inp	330.29		NIST
Inp	330.73		NIST
Inp	332.64		NIST
Inp	332.59		NIST
Inp	330.20		NIST
Inp	355.43		NIST
Inp	326.13		NIST
Inp	326.50		NIST
Inp	330.50		NIST
Inp	330.50		NIST
Inp	326.39		NIST
Inp	329.88		NIST
Inp	332.59		NIST
Inp	329.78		NIST
Inp	331.10		NIST
Inp	332.60		NIST
Inp	326.51		NIST
Inp	331.98		NIST
Inp	332.17		NIST
Inp	332.59		NIST
Inp	332.59		NIST
Inp	331.10		NIST
Inp	332.59		NIST
Inp	Outlier 1930.00		NIST
Inp	330.20		NIST
Inp	330.50		NIST
Inp	331.10		NIST
Inp	332.59		NIST
Inp	343.50		NIST
Inp	331.25		NIST
Inp	331.20		NIST
Inp	Outlier 1940.00		NIST
Tboil	618.70	K	NIST
Tc	896.95	K	Relay (1.0) Calculated Property
Tfus	[374.40; 376.65]	K
Tfus	376.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	375.20 ± 1.50	K	NIST
Tfus	375.00 ± 3.00	K	NIST
Tfus	374.40 ± 2.00	K	NIST
Tfus	374.90 ± 1.00	K	NIST
Ttriple	374.77	K	Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene
Vc	0.642	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.94; 513.91]	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			-9.66100e+01
Coefficient B			1.30280e+00
Coefficient C			-9.78680e-04
Coefficient D			2.86400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.94	J/mol×K	273.00	Calculated Property
Cp,gas	254.48	J/mol×K	353.78	Calculated Property
Cp,gas	308.22	J/mol×K	434.56	Calculated Property
Cp,gas	354.06	J/mol×K	515.33	Calculated Property
Cp,gas	392.90	J/mol×K	596.11	Calculated Property
Cp,gas	425.65	J/mol×K	676.89	Calculated Property
Cp,gas	453.23	J/mol×K	757.67	Calculated Property
Cp,gas	476.52	J/mol×K	838.44	Calculated Property
Cp,gas	496.45	J/mol×K	919.22	Calculated Property
Cp,gas	513.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014051; 0.0002646]	Pa×s	[375.23; 633.99]	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			-1.06585e+01
Coefficient B			1.53502e+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.			375.23
Temperature range, max.			633.99
η	0.0014051	Pa×s	375.23	Calculated Property
η	0.0010502	Pa×s	403.98	Calculated Property
η	0.0008158	Pa×s	432.73	Calculated Property
η	0.0006541	Pa×s	461.48	Calculated Property
η	0.0005382	Pa×s	490.24	Calculated Property
η	0.0004525	Pa×s	518.99	Calculated Property
η	0.0003874	Pa×s	547.74	Calculated Property
η	0.0003369	Pa×s	576.49	Calculated Property
η	0.0002968	Pa×s	605.24	Calculated Property
η	0.0002646	Pa×s	633.99	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-phenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase transition thermodynamics of phenyl and biphenyl naphthalenes
• Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene
• Joback Method
• McGowan Method
• NIST Webbook

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