Chemical Properties of Naphthalene, 1-(phenylmethyl)-

InChI

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

InChI Key

KTHUKEZOIFYPEH-UHFFFAOYSA-N

Formula

C17H14

SMILES

c1ccc(Cc2cccc3ccccc23)cc1

Molecular Weight¹

218.30

Other Names

• 1-Benzylnaphthalene

• 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_boilr : Boiling point at reduced pressure (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	0.4906		Relay (1.0) Calculated Property
ΔfG°	414.10	kJ/mol	Joback Calculated Property
ΔfH°gas	268.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔvapH°	90.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-5.77		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	332.88		NIST
Tboil	638.88	K	Relay (1.0) Calculated Property
Tc	896.48	K	Relay (1.0) Calculated Property
Tfus	[331.00; 332.65]	K
Tfus	332.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	331.00	K	NIST
Tfus	331.00 ± 4.00	K	NIST
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[491.50; 491.70]	K	[2.50; 2.50]
Tboilr	491.70	K	2.50	NIST
Tboilr	491.50 ± 1.50	K	2.50	NIST

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	[0.0028023; 0.0002567]	Pa×s	[331.55; 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.			331.55
Temperature range, max.			645.64
η	0.0028023	Pa×s	331.55	Calculated Property
η	0.0017550	Pa×s	366.45	Calculated Property
η	0.0011923	Pa×s	401.35	Calculated Property
η	0.0008617	Pa×s	436.25	Calculated Property
η	0.0006535	Pa×s	471.15	Calculated Property
η	0.0005148	Pa×s	506.05	Calculated Property
η	0.0004183	Pa×s	540.94	Calculated Property
η	0.0003485	Pa×s	575.84	Calculated Property
η	0.0002965	Pa×s	610.74	Calculated Property
η	0.0002567	Pa×s	645.64	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-(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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