Chemical Properties of Naphthalene, 1-(chloromethyl)- (CAS 86-52-2)

InChI

InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2

InChI Key

XMWGTKZEDLCVIG-UHFFFAOYSA-N

Formula

C11H9Cl

SMILES

ClCc1cccc2ccccc12

Molecular Weight¹

176.64

CAS

86-52-2

Other Names

• 1-(Chlormethyl)naftalen
• 1-(Chloromethyl)naphthalene
• 1-Menaphthyl chloride
• 1-Naphthylmethyl chloride
• NSC 8473
• Naphthalene, «alpha»-(chloromethyl)-
• «alpha»-(Chloromethyl)naphthalene
• «alpha»-Naphthylmethyl chloride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.4152		Relay (1.0) Calculated Property
ΔfG°	239.24	kJ/mol	Joback Calculated Property
ΔfH°gas	71.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.11	kJ/mol	Joback Calculated Property
ΔvapH°	68.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	3.579		Crippen Calculated Property
McVol	134.870	ml/mol	McGowan Calculated Property
Pc	3265.31	kPa	Joback Calculated Property
Inp	[266.23; 266.23]
Inp	266.23		NIST
Inp	266.23		NIST
Tboil	564.70	K	NIST
Tc	820.09	K	Relay (1.0) Calculated Property
Tfus	305.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.491	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.53; 382.75]	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			-4.52690e+01
Coefficient B			9.13500e-01
Coefficient C			-6.95880e-04
Coefficient D			2.10400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.53	J/mol×K	273.00	Calculated Property
Cp,gas	200.13	J/mol×K	353.78	Calculated Property
Cp,gas	237.55	J/mol×K	434.56	Calculated Property
Cp,gas	269.48	J/mol×K	515.33	Calculated Property
Cp,gas	296.57	J/mol×K	596.11	Calculated Property
Cp,gas	319.48	J/mol×K	676.89	Calculated Property
Cp,gas	338.90	J/mol×K	757.67	Calculated Property
Cp,gas	355.47	J/mol×K	838.44	Calculated Property
Cp,gas	369.86	J/mol×K	919.22	Calculated Property
Cp,gas	382.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018745; 0.0003307]	Pa×s	[305.15; 545.32]	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			-1.02189e+01
Coefficient B			1.20212e+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.			305.15
Temperature range, max.			545.32
η	0.0018745	Pa×s	305.15	Calculated Property
η	0.0013655	Pa×s	331.84	Calculated Property
η	0.0010428	Pa×s	358.52	Calculated Property
η	0.0008266	Pa×s	385.21	Calculated Property
η	0.0006753	Pa×s	411.89	Calculated Property
η	0.0005654	Pa×s	438.58	Calculated Property
η	0.0004832	Pa×s	465.26	Calculated Property
η	0.0004200	Pa×s	491.95	Calculated Property
η	0.0003704	Pa×s	518.63	Calculated Property
η	0.0003307	Pa×s	545.32	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[419.52; 601.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42056e+01
Coefficient B			-4.47322e+03
Coefficient C			-9.81230e+01
Temperature range, min.			419.52
Temperature range, max.			601.06
Pvap	1.33	kPa	419.52	Calculated Property
Pvap	3.03	kPa	439.69	Calculated Property
Pvap	6.30	kPa	459.86	Calculated Property
Pvap	12.10	kPa	480.03	Calculated Property
Pvap	21.77	kPa	500.20	Calculated Property
Pvap	37.04	kPa	520.38	Calculated Property
Pvap	60.03	kPa	540.55	Calculated Property
Pvap	93.30	kPa	560.72	Calculated Property
Pvap	139.75	kPa	580.89	Calculated Property
Pvap	202.64	kPa	601.06	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-(chloromethyl)-.

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
• The Yaws Handbook of Vapor Pressure

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