Chemical Properties of Naphthalene, 1-chloro-2-methyl- (CAS 5859-45-0)

InChI

InChI=1S/C11H9Cl/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3

InChI Key

MNCMVFFWMBXFLK-UHFFFAOYSA-N

Formula

C11H9Cl

SMILES

Cc1ccc2ccccc2c1Cl

Molecular Weight¹

176.64

CAS

5859-45-0

Other Names

• 1-Chloro-2-methylnaphthalene

• 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).
• P_vap : Vapor 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	0.3904		Relay (1.0) Calculated Property
ΔfG°	229.61	kJ/mol	Joback Calculated Property
ΔfH°gas	82.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.73	kJ/mol	Joback Calculated Property
ΔvapH°	62.04	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	3.802		Crippen Calculated Property
McVol	134.870	ml/mol	McGowan Calculated Property
Pc	3210.04	kPa	Joback Calculated Property
Inp	[1475.30; 1475.30]
Inp	1475.30		NIST
Inp	1475.30		NIST
Tboil	548.63	K	Relay (1.0) Calculated Property
Tc	804.95	K	Relay (1.0) Calculated Property
Tfus	297.29	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.08; 379.71]	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			-3.09700e+01
Coefficient B			8.54020e-01
Coefficient C			-6.28840e-04
Coefficient D			1.85500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.08	J/mol×K	273.00	Calculated Property
Cp,gas	200.67	J/mol×K	353.78	Calculated Property
Cp,gas	236.62	J/mol×K	434.56	Calculated Property
Cp,gas	267.52	J/mol×K	515.33	Calculated Property
Cp,gas	293.96	J/mol×K	596.11	Calculated Property
Cp,gas	316.52	J/mol×K	676.89	Calculated Property
Cp,gas	335.78	J/mol×K	757.67	Calculated Property
Cp,gas	352.35	J/mol×K	838.44	Calculated Property
Cp,gas	366.79	J/mol×K	919.22	Calculated Property
Cp,gas	379.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013413; 0.0003252]	Pa×s	[327.81; 549.63]	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			-1.01249e+01
Coefficient B			1.15086e+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.			327.81
Temperature range, max.			549.63
η	0.0013413	Pa×s	327.81	Calculated Property
η	0.0010493	Pa×s	352.46	Calculated Property
η	0.0008477	Pa×s	377.10	Calculated Property
η	0.0007029	Pa×s	401.75	Calculated Property
η	0.0005957	Pa×s	426.40	Calculated Property
η	0.0005140	Pa×s	451.04	Calculated Property
η	0.0004503	Pa×s	475.69	Calculated Property
η	0.0003998	Pa×s	500.33	Calculated Property
η	0.0003588	Pa×s	524.98	Calculated Property
η	0.0003252	Pa×s	549.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[419.72; 600.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42441e+01
Coefficient B			-4.48838e+03
Coefficient C			-9.81230e+01
Temperature range, min.			419.72
Temperature range, max.			600.59
Pvap	1.33	kPa	419.72	Calculated Property
Pvap	3.03	kPa	439.82	Calculated Property
Pvap	6.28	kPa	459.91	Calculated Property
Pvap	12.07	kPa	480.01	Calculated Property
Pvap	21.73	kPa	500.11	Calculated Property
Pvap	36.97	kPa	520.20	Calculated Property
Pvap	59.95	kPa	540.30	Calculated Property
Pvap	93.20	kPa	560.40	Calculated Property
Pvap	139.67	kPa	580.49	Calculated Property
Pvap	202.64	kPa	600.59	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-chloro-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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