Chemical Properties of Naphthalene, 1,4,6-trimethyl- (CAS 2131-42-2)

InChI

InChI=1S/C13H14/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h4-8H,1-3H3

InChI Key

VGKRZAKNKJAKDN-UHFFFAOYSA-N

Formula

C13H14

SMILES

Cc1ccc2c(C)ccc(C)c2c1

Molecular Weight¹

170.25

CAS

2131-42-2

Other Names

• 1,4,6-Trimethylnaphthalene

• 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).
• 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
ΔfG°	248.75	kJ/mol	Joback Calculated Property
ΔfH°gas	81.54	kJ/mol	Joback Calculated Property
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔvapH°	50.43	kJ/mol	Joback Calculated Property
log10WS	-4.70		Crippen Calculated Property
logPoct/wat	3.765		Crippen Calculated Property
McVol	150.810	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[262.70; 264.70]
Inp	263.93		NIST
Inp	264.70		NIST
Inp	262.72		NIST
Inp	262.70		NIST
Inp	264.00		NIST
Inp	263.93		NIST
Tboil	557.44	K	Joback Calculated Property
Tc	785.77	K	Joback Calculated Property
Tfus	332.95	K	Joback Calculated Property
Vc	0.578	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.00; 420.56]	J/mol×K	[557.44; 785.77]
Cp,gas	342.00	J/mol×K	557.44	Joback Calculated Property
Cp,gas	357.34	J/mol×K	595.49	Joback Calculated Property
Cp,gas	371.70	J/mol×K	633.55	Joback Calculated Property
Cp,gas	385.15	J/mol×K	671.60	Joback Calculated Property
Cp,gas	397.73	J/mol×K	709.66	Joback Calculated Property
Cp,gas	409.52	J/mol×K	747.71	Joback Calculated Property
Cp,gas	420.56	J/mol×K	785.77	Joback Calculated Property
η	[0.0002834; 0.0010939]	Pa×s	[332.95; 557.44]
η	0.0010939	Pa×s	332.95	Joback Calculated Property
η	0.0007795	Pa×s	370.37	Joback Calculated Property
η	0.0005911	Pa×s	407.78	Joback Calculated Property
η	0.0004696	Pa×s	445.20	Joback Calculated Property
η	0.0003866	Pa×s	482.61	Joback Calculated Property
η	0.0003273	Pa×s	520.03	Joback Calculated Property
η	0.0002834	Pa×s	557.44	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[413.15; 574.60]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50240e+01
Coefficient B			-4.59979e+03
Coefficient C			-1.01013e+02
Temperature range, min.			413.15
Temperature range, max.			574.60
Pvap	1.33	kPa	413.15	Calculated Property
Pvap	2.97	kPa	431.09	Calculated Property
Pvap	6.09	kPa	449.03	Calculated Property
Pvap	11.64	kPa	466.97	Calculated Property
Pvap	20.95	kPa	484.91	Calculated Property
Pvap	35.77	kPa	502.84	Calculated Property
Pvap	58.33	kPa	520.78	Calculated Property
Pvap	91.40	kPa	538.72	Calculated Property
Pvap	138.24	kPa	556.66	Calculated Property
Pvap	202.63	kPa	574.60	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,4,6-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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