Chemical Properties of Naphthalene, 1,3,6-trimethyl- (CAS 3031-08-1)

InChI

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

InChI Key

OHJWSORLJAKJEK-UHFFFAOYSA-N

Formula

C13H14

SMILES

Cc1ccc2c(C)cc(C)cc2c1

Molecular Weight¹

170.25

CAS

3031-08-1

Other Names

• 1,3,6-trimethyl-naphthalene
• 1,3,6-trimethylnaphthalene

• 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	0.4757		Relay (1.0) Calculated Property
ΔfG°	248.75	kJ/mol	Joback Calculated Property
ΔfH°gas	73.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔvapH°	70.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.57	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) 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	[260.00; 262.13]
Inp	262.13		NIST
Inp	262.10		NIST
Inp	260.03		NIST
Inp	260.00		NIST
Inp	262.10		NIST
Inp	262.13		NIST
Inp	260.00		NIST
Tboil	552.50	K	Relay (1.0) Calculated Property
Tc	790.57	K	Relay (1.0) Calculated Property
Tfus	301.26	K	Relay (1.0) Calculated Property
Vc	0.578	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.66; 471.58]	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			-3.13800e+01
Coefficient B			9.77760e-01
Coefficient C			-6.50200e-04
Coefficient D			1.75400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.66	J/mol×K	273.00	Calculated Property
Cp,gas	240.92	J/mol×K	353.78	Calculated Property
Cp,gas	285.12	J/mol×K	434.56	Calculated Property
Cp,gas	323.82	J/mol×K	515.33	Calculated Property
Cp,gas	357.58	J/mol×K	596.11	Calculated Property
Cp,gas	386.95	J/mol×K	676.89	Calculated Property
Cp,gas	412.47	J/mol×K	757.67	Calculated Property
Cp,gas	434.72	J/mol×K	838.44	Calculated Property
Cp,gas	454.24	J/mol×K	919.22	Calculated Property
Cp,gas	471.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010939; 0.0002909]	Pa×s	[332.95; 550.24]	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			-1.01717e+01
Coefficient B			1.11660e+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.			332.95
Temperature range, max.			550.24
η	0.0010939	Pa×s	332.95	Calculated Property
η	0.0008719	Pa×s	357.09	Calculated Property
η	0.0007153	Pa×s	381.24	Calculated Property
η	0.0006008	Pa×s	405.38	Calculated Property
η	0.0005146	Pa×s	429.52	Calculated Property
η	0.0004481	Pa×s	453.66	Calculated Property
η	0.0003957	Pa×s	477.81	Calculated Property
η	0.0003537	Pa×s	501.95	Calculated Property
η	0.0003193	Pa×s	526.09	Calculated Property
η	0.0002909	Pa×s	550.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[416.15; 573.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50524e+01
Coefficient B			-4.51444e+03
Coefficient C			-1.10392e+02
Temperature range, min.			416.15
Temperature range, max.			573.85
Pvap	1.33	kPa	416.15	Calculated Property
Pvap	2.97	kPa	433.67	Calculated Property
Pvap	6.09	kPa	451.19	Calculated Property
Pvap	11.63	kPa	468.72	Calculated Property
Pvap	20.93	kPa	486.24	Calculated Property
Pvap	35.73	kPa	503.76	Calculated Property
Pvap	58.29	kPa	521.28	Calculated Property
Pvap	91.36	kPa	538.81	Calculated Property
Pvap	138.22	kPa	556.33	Calculated Property
Pvap	202.67	kPa	573.85	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,3,6-trimethyl-.

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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