Chemical Properties of Naphthalene, 2,6-dimethyl- (CAS 581-42-0)

InChI

InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3

InChI Key

YGYNBBAUIYTWBF-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1ccc2cc(C)ccc2c1

Molecular Weight¹

156.22

CAS

581-42-0

Other Names

• 2,6-Dimethyl naphthalene
• 2,6-dimethylnaphthalene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3818; 0.4430]
ω	0.3818		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4430		KDB
ΔcH°solid	-6431.40 ± 1.60	kJ/mol	NIST
EA	0.16 ± 0.07	eV	NIST
ΔfG°	249.96	kJ/mol	Joback Calculated Property
ΔfH°gas	90.70	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-5.70 ± 1.70	kJ/mol	NIST
ΔfusH°	25.30	kJ/mol	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
ΔvapH°	63.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	[-4.89; -4.89]
log10WS	-4.89		Aq. Solubility Prediction
log10WS	-4.89		Estimated Solubility
logPoct/wat	3.457		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	[3010.00; 3222.14]	kPa
Pc	3222.14	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3010.00	kPa	KDB
Inp	[233.90; 1416.00]
Inp	1380.40		NIST
Inp	1400.00		NIST
Inp	1400.00		NIST
Inp	1401.00		NIST
Inp	1408.00		NIST
Inp	1403.00		NIST
Inp	1402.00		NIST
Inp	1387.00		NIST
Inp	1399.00		NIST
Inp	1395.60		NIST
Inp	1408.80		NIST
Inp	1388.00		NIST
Inp	1372.00		NIST
Inp	1403.00		NIST
Inp	1377.00		NIST
Inp	1400.90		NIST
Inp	1400.00		NIST
Inp	1390.60		NIST
Inp	1400.90		NIST
Inp	1407.30		NIST
Inp	1390.60		NIST
Inp	1400.90		NIST
Inp	1407.30		NIST
Inp	1400.90		NIST
Inp	1400.00		NIST
Inp	1381.69		NIST
Inp	1381.93		NIST
Inp	1382.00		NIST
Inp	1409.00		NIST
Inp	1377.00		NIST
Inp	1416.00		NIST
Inp	1400.20		NIST
Inp	1394.00		NIST
Inp	1396.00		NIST
Inp	1388.00		NIST
Inp	1388.00		NIST
Inp	1389.00		NIST
Inp	1372.00		NIST
Inp	1380.00		NIST
Inp	1372.00		NIST
Inp	1400.00		NIST
Inp	1382.00		NIST
Inp	1409.00		NIST
Inp	1408.00		NIST
Inp	1416.00		NIST
Inp	1384.00		NIST
Inp	1388.30		NIST
Inp	1410.00		NIST
Inp	1411.00		NIST
Inp	1388.00		NIST
Inp	240.68		NIST
Inp	237.58		NIST
Inp	239.70		NIST
Inp	240.42		NIST
Inp	240.56		NIST
Inp	239.97		NIST
Inp	240.04		NIST
Inp	241.00		NIST
Inp	240.50		NIST
Inp	237.23		NIST
Inp	240.89		NIST
Inp	233.90		NIST
Inp	240.28		NIST
Inp	237.58		NIST
Inp	241.20		NIST
Inp	240.30		NIST
Inp	239.11		NIST
Inp	237.60		NIST
Inp	239.70		NIST
Inp	239.70		NIST
Inp	241.13		NIST
Inp	237.58		NIST
Inp	240.30		NIST
Inp	240.50		NIST
Inp	236.80		NIST
Inp	237.58		NIST
Inp	1400.90		NIST
Inp	1390.60		NIST
Inp	1381.69		NIST
Inp	240.68		NIST
Inp	239.97		NIST
Inp	240.89		NIST
Inp	1388.30		NIST
Inp	1396.00		NIST
Inp	1380.00		NIST
Inp	1380.40		NIST
Inp	1403.00		NIST
Inp	1408.80		NIST
Ip	[2012.00; 2038.00]
Ip	2012.00		NIST
Ip	2038.00		NIST
Ip	2038.00		NIST
Ip	2031.00		NIST
Ip	2038.00		NIST
Ip	2012.00		NIST
S°solid,1 bar	227.86	J/mol×K	NIST
Tboil	[534.00; 543.00]	K
Tboil	535.20	K	KDB
Tboil	535.20	K	NIST
Tboil	534.35 ± 0.60	K	NIST
Tboil	538.00 ± 4.00	K	NIST
Tboil	535.00 ± 1.50	K	NIST
Tboil	Outlier 543.00 ± 4.00	K	NIST
Tboil	535.00 ± 4.00	K	NIST
Tboil	534.00 ± 4.00	K	NIST
Tc	[769.20; 777.20]	K
Tc	777.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	769.20	K	KDB
Tfus	[336.00; 387.40]	K
Tfus	385.00	K	Solid-Liquid Phase Equilibria of Binary and Ternary Mixtures for 2,6-Dimethylnaphthalene and 2,7-Dimethylnaphthalene with Ethanol or Methanol
Tfus	385.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	385.00	K	KDB
Tfus	387.40 ± 2.00	K	NIST
Tfus	383.27 ± 0.10	K	NIST
Tfus	383.90 ± 0.20	K	NIST
Tfus	384.15 ± 0.50	K	NIST
Tfus	Outlier 336.00 ± 4.00	K	NIST
Ttriple	[383.31; 384.41]	K
Ttriple	384.41	K	Solubilities of 2,6-Dimethylnaphthalene in Six Pure Solvents and Two Binary Solvent Systems
Ttriple	383.31 ± 0.02	K	NIST
Ttriple	383.31 ± 0.03	K	NIST
Ttriple	383.31 ± 0.02	K	NIST
Vc	[0.508; 0.521]	m3/kmol
Vc	0.508	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.521	m3/kmol	KDB
Zc	0.2454400		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[202.50; 203.55]	J/mol×K	[298.15; 298.15]
Cp,solid	203.55	J/mol×K	298.15	NIST
Cp,solid	202.50	J/mol×K	298.15	NIST
Csat	[293.80; 318.80]	J/mol×K	[390.00; 440.00]
Csat	293.80	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	298.80	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	303.80	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	308.80	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	313.80	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	318.80	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[25.06; 25.30]	kJ/mol	[383.30; 385.20]
ΔfusH	25.06	kJ/mol	383.30	NIST
ΔfusH	25.06	kJ/mol	383.30	NIST
ΔfusH	25.06	kJ/mol	383.32	NIST
ΔfusH	25.06	kJ/mol	383.32	NIST
ΔfusH	25.30	kJ/mol	385.20	NIST
ΔsubH	[82.50; 84.40]	kJ/mol	[291.50; 383.00]
ΔsubH	84.10	kJ/mol	291.50	NIST
ΔsubH	84.40 ± 1.90	kJ/mol	366.50	NIST
ΔsubH	84.40 ± 1.90	kJ/mol	366.50	NIST
ΔsubH	84.00 ± 0.40	kJ/mol	379.20	NIST
ΔsubH	82.50	kJ/mol	383.00	NIST
ΔvapH	[55.70; 57.40]	kJ/mol	[401.00; 401.00]
ΔvapH	57.30	kJ/mol	401.00	NIST
ΔvapH	57.40	kJ/mol	401.00	NIST
ΔvapH	56.60	kJ/mol	401.00	NIST
ΔvapH	55.70	kJ/mol	401.00	NIST
ΔvapH	57.40	kJ/mol	401.00	NIST
ΔvapH	56.60	kJ/mol	401.00	NIST
ΔvapH	55.70	kJ/mol	401.00	NIST
ΔfusS	[65.37; 65.37]	J/mol×K	[383.32; 383.32]
ΔfusS	65.37	J/mol×K	383.32	NIST
ΔfusS	65.37	J/mol×K	383.32	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.89; 423.03]	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			-4.47700e+01
Coefficient B			9.42240e-01
Coefficient C			-6.62840e-04
Coefficient D			1.88400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.89	J/mol×K	273.00	Calculated Property
Cp,gas	213.96	J/mol×K	353.78	Calculated Property
Cp,gas	254.98	J/mol×K	434.56	Calculated Property
Cp,gas	290.55	J/mol×K	515.33	Calculated Property
Cp,gas	321.28	J/mol×K	596.11	Calculated Property
Cp,gas	347.75	J/mol×K	676.89	Calculated Property
Cp,gas	370.57	J/mol×K	757.67	Calculated Property
Cp,gas	390.32	J/mol×K	838.44	Calculated Property
Cp,gas	407.61	J/mol×K	919.22	Calculated Property
Cp,gas	423.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006345; 0.0002833]	Pa×s	[384.84; 541.24]	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			-1.01527e+01
Coefficient B			1.07370e+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.			384.84
Temperature range, max.			541.24
η	0.0006345	Pa×s	384.84	Calculated Property
η	0.0005624	Pa×s	402.22	Calculated Property
η	0.0005036	Pa×s	419.59	Calculated Property
η	0.0004548	Pa×s	436.97	Calculated Property
η	0.0004140	Pa×s	454.35	Calculated Property
η	0.0003795	Pa×s	471.73	Calculated Property
η	0.0003500	Pa×s	489.11	Calculated Property
η	0.0003246	Pa×s	506.48	Calculated Property
η	0.0003026	Pa×s	523.86	Calculated Property
η	0.0002833	Pa×s	541.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.83; 202.66]	kPa	[384.55; 570.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46482e+01
Coefficient B			-4.69173e+03
Coefficient C			-6.82240e+01
Temperature range, min.			384.55
Temperature range, max.			570.73
Pvap	0.83	kPa	384.55	Calculated Property
Pvap	2.07	kPa	405.24	Calculated Property
Pvap	4.63	kPa	425.92	Calculated Property
Pvap	9.48	kPa	446.61	Calculated Property
Pvap	18.02	kPa	467.30	Calculated Property
Pvap	32.17	kPa	487.98	Calculated Property
Pvap	54.38	kPa	508.67	Calculated Property
Pvap	87.69	kPa	529.36	Calculated Property
Pvap	135.73	kPa	550.04	Calculated Property
Pvap	202.66	kPa	570.73	Calculated Property
Pvap	[0.76; 3072.72]	kPa	[383.32; 777.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.33648e+01
Coefficient B			-1.04756e+04
Coefficient C			-9.52974e+00
Coefficient D			2.60426e-06
Coefficient E			0.00000e+00
Temperature range, min.			383.32
Temperature range, max.			777.00
Pvap	0.76	kPa	383.32	Calculated Property
Pvap	4.90	kPa	427.06	Calculated Property
Pvap	20.93	kPa	470.80	Calculated Property
Pvap	66.59	kPa	514.55	Calculated Property
Pvap	170.43	kPa	558.29	Calculated Property
Pvap	370.54	kPa	602.03	Calculated Property
Pvap	711.47	kPa	645.77	Calculated Property
Pvap	1241.35	kPa	689.52	Calculated Property
Pvap	2010.60	kPa	733.26	Calculated Property
Pvap	3072.72	kPa	777.00	Calculated Property
Pvap	[0.80; 3.42]	kPa	[384.00; 418.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.18544e+01
Coefficient B			-2.99979e+03
Coefficient C			-1.35652e+02
Reference			Osborn and Douslin, 1975, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			384.00
Temperature range, max.			418.00
Pvap	0.80	kPa	384.00	Calculated Property
Pvap	0.96	kPa	387.78	Calculated Property
Pvap	1.14	kPa	391.56	Calculated Property
Pvap	1.35	kPa	395.33	Calculated Property
Pvap	1.60	kPa	399.11	Calculated Property
Pvap	1.88	kPa	402.89	Calculated Property
Pvap	2.19	kPa	406.67	Calculated Property
Pvap	2.55	kPa	410.44	Calculated Property
Pvap	2.96	kPa	414.22	Calculated Property
Pvap	3.42	kPa	418.00	Calculated Property
Pvap	[0.80; 3.42]	kPa	[384.00; 418.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.18544e+01
Coefficient B			-2.99979e+03
Coefficient C			-1.35652e+02
Reference			Osborn and Douslin, 1975
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			384.00
Temperature range, max.			418.00
Pvap	0.80	kPa	384.00	Calculated Property
Pvap	0.96	kPa	387.78	Calculated Property
Pvap	1.14	kPa	391.56	Calculated Property
Pvap	1.35	kPa	395.33	Calculated Property
Pvap	1.60	kPa	399.11	Calculated Property
Pvap	1.88	kPa	402.89	Calculated Property
Pvap	2.19	kPa	406.67	Calculated Property
Pvap	2.55	kPa	410.44	Calculated Property
Pvap	2.96	kPa	414.22	Calculated Property
Pvap	3.42	kPa	418.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2,6-dimethyl-.

Mixtures

• 2-Propanol + Naphthalene, 2,6-dimethyl-
• Naphthalene, 2,6-dimethyl- + Heptane
• Naphthalene, 2,6-dimethyl- + Cyclohexane
• Naphthalene, 2,6-dimethyl- + Ethyl Acetate
• Naphthalene, 2,6-dimethyl- + Acetic acid, propyl ester
• Naphthalene, 2,6-dimethyl- + Pentane, 2,2,4-trimethyl-
• Naphthalene, 2,6-dimethyl- + Formic acid + Water
• Naphthalene, 2,6-dimethyl- + Acetic acid + Water
• Naphthalene, 2,6-dimethyl- + Formic acid
• Naphthalene, 2,6-dimethyl- + Acetic acid
• Naphthalene, 2,6-dimethyl- + Naphthalene, 2,3-dimethyl-
• Naphthalene, 2,6-dimethyl- + 1,8-Dimethylnaphthalene
• Naphthalene, 2,6-dimethyl- + Naphthalene, 2,7-dimethyl-
• Naphthalene, 2,6-dimethyl- + Naphthalene, 1,4-dimethyl-
• 1,5-DIMETHYLNAPHTHALENE + Naphthalene, 2,6-dimethyl-
• Naphthalene, 2,6-dimethyl- + Naphthalene, 1,6-dimethyl-
• Naphthalene, 1-methyl- + Naphthalene, 2,6-dimethyl-
• Naphthalene, 2-methyl- + Naphthalene, 2,6-dimethyl-
• Naphthalene, 2,6-dimethyl- + Methyl Alcohol
• Ethanol + Naphthalene, 2,6-dimethyl-

Find more mixtures with Naphthalene, 2,6-dimethyl-.

Sources

• KDB Vapor Pressure Data
• 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).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• New aspects of relationship between the enthalpies of fusion of aromatic compounds at the melting temperatures and the enthalpies of solution in benzene at 298.15 K. Part I
• Solubilities of 2,6-Dimethylnaphthalene in Six Pure Solvents and Two Binary Solvent Systems
• Solid-Liquid Phase Equilibria of Binary and Ternary Mixtures for 2,6-Dimethylnaphthalene and 2,7-Dimethylnaphthalene with Ethanol or Methanol
• Solubility and Density of 2,6-Dimethylnaphthalene in C1-C7 1-Alkanols
• Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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