Chemical Properties of Naphthalene, 2-(phenylmethyl)- (CAS 613-59-2)

InChI

InChI=1S/C17H14/c1-2-6-14(7-3-1)12-15-10-11-16-8-4-5-9-17(16)13-15/h1-11,13H,12H2

InChI Key

JASHTKAXQWIZGF-UHFFFAOYSA-N

Formula

C17H14

SMILES

c1ccc(Cc2ccc3ccccc3c2)cc1

Molecular Weight¹

218.29

CAS

613-59-2

Other Names

• 2-(Phenylmethyl)naphthalene
• 2-Benzylnaphthalene
• Naphthalene, 2-benzyl-

• 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_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	0.4997		Relay (1.0) Calculated Property
ΔfG°	414.10	kJ/mol	Joback Calculated Property
ΔfH°gas	275.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔvapH°	92.24	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	4.431		Crippen Calculated Property
McVol	183.410	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[339.20; 350.51]
Inp	349.45		NIST
Inp	339.20		NIST
Inp	349.29		NIST
Inp	350.51		NIST
Inp	349.45		NIST
Inp	339.20		NIST
Tboil	641.35	K	Relay (1.0) Calculated Property
Tc	898.02	K	Relay (1.0) Calculated Property
Tfus	[328.00; 331.15]	K
Tfus	331.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	328.00 ± 3.00	K	NIST
Vc	0.694	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.16; 565.50]	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			-9.75190e+01
Coefficient B			1.39780e+00
Coefficient C			-1.03308e-03
Coefficient D			2.98300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.16	J/mol×K	273.00	Calculated Property
Cp,gas	280.90	J/mol×K	353.78	Calculated Property
Cp,gas	339.30	J/mol×K	434.56	Calculated Property
Cp,gas	389.28	J/mol×K	515.33	Calculated Property
Cp,gas	431.81	J/mol×K	596.11	Calculated Property
Cp,gas	467.81	J/mol×K	676.89	Calculated Property
Cp,gas	498.24	J/mol×K	757.67	Calculated Property
Cp,gas	524.04	J/mol×K	838.44	Calculated Property
Cp,gas	546.14	J/mol×K	919.22	Calculated Property
Cp,gas	565.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028861; 0.0002567]	Pa×s	[329.57; 645.64]	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			-1.07911e+01
Coefficient B			1.62918e+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.			329.57
Temperature range, max.			645.64
η	0.0028861	Pa×s	329.57	Calculated Property
η	0.0017930	Pa×s	364.69	Calculated Property
η	0.0012110	Pa×s	399.81	Calculated Property
η	0.0008715	Pa×s	434.93	Calculated Property
η	0.0006588	Pa×s	470.05	Calculated Property
η	0.0005177	Pa×s	505.17	Calculated Property
η	0.0004198	Pa×s	540.29	Calculated Property
η	0.0003492	Pa×s	575.40	Calculated Property
η	0.0002967	Pa×s	610.52	Calculated Property
η	0.0002567	Pa×s	645.64	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-(phenylmethyl)-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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