Chemical Properties of Naphthalene, 2,7-dimethyl- (CAS 582-16-1)

InChI

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

InChI Key

LRQYSMQNJLZKPS-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1ccc2ccc(C)cc2c1

Molecular Weight¹

156.22

CAS

582-16-1

Other Names

• 2,7-Dimethyl naphthalene
• 2,7-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,liquid : Liquid phase 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).
• 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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (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	[0.4069; 0.4430]
ω	0.4069		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4430		KDB
ΔcH°solid	-6431.69 ± 0.96	kJ/mol	NIST
ΔfG°	249.96	kJ/mol	Joback Calculated Property
ΔfH°gas	79.50 ± 0.60	kJ/mol	NIST
ΔfH°solid	-5.40 ± 1.10	kJ/mol	NIST
ΔfusH°	22.20	kJ/mol	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
ΔvapH°	63.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.89 ± 0.03	eV	NIST
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	3.457		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	[3200.00; 3234.00]	kPa
Pc	3230.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Pc	3222.14	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3230.00	kPa	KDB
Pc	Outlier 3200.00 ± 200.00	kPa	NIST
Pc	3234.00 ± 100.00	kPa	NIST
Pc	3234.00 ± 100.00	kPa	NIST
ρc	[254.64; 265.58]	kg/m3
ρc	265.58 ± 31.24	kg/m3	NIST
ρc	254.64 ± 29.68	kg/m3	NIST
ρc	254.64 ± 29.68	kg/m3	NIST
Inp	[237.70; 1409.50]
Inp	1390.10		NIST
Inp	1400.00		NIST
Inp	1380.40		NIST
Inp	1400.00		NIST
Inp	1401.00		NIST
Inp	1408.00		NIST
Inp	1389.00		NIST
Inp	1400.00		NIST
Inp	1390.00		NIST
Inp	1392.10		NIST
Inp	1402.20		NIST
Inp	1409.50		NIST
Inp	1392.10		NIST
Inp	1402.20		NIST
Inp	1409.50		NIST
Inp	1400.20		NIST
Inp	1400.00		NIST
Inp	1390.10		NIST
Inp	1389.00		NIST
Inp	240.99		NIST
Inp	237.71		NIST
Inp	240.56		NIST
Inp	240.04		NIST
Inp	240.50		NIST
Inp	240.28		NIST
Inp	237.71		NIST
Inp	240.30		NIST
Inp	237.70		NIST
Inp	241.13		NIST
Inp	240.30		NIST
Inp	240.50		NIST
Inp	1392.10		NIST
Inp	1409.50		NIST
Inp	1400.20		NIST
S°liquid	283.36	J/mol×K	NIST
S°solid,1 bar	228.57	J/mol×K	NIST
Tboil	[536.20; 538.00]	K
Tboil	536.20	K	KDB
Tboil	536.20	K	NIST
Tboil	538.00 ± 4.00	K	NIST
Tc	[775.00; 778.20]	K
Tc	775.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Tc	Outlier 778.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	775.00	K	KDB
Tc	775.00 ± 2.00	K	NIST
Tc	775.00 ± 2.00	K	NIST
Tc	775.00 ± 2.00	K	NIST
Tfus	[368.10; 371.00]	K
Tfus	368.10	K	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
Tfus	369.10	K	Solid-Liquid Phase Equilibria of Binary and Ternary Mixtures for 2,6-Dimethylnaphthalene and 2,7-Dimethylnaphthalene with Ethanol or Methanol
Tfus	370.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	371.00	K	KDB
Tfus	370.15 ± 0.50	K	NIST
Ttriple	[368.81; 368.81]	K
Ttriple	368.81 ± 0.02	K	NIST
Ttriple	368.81 ± 0.03	K	NIST
Ttriple	368.81 ± 0.02	K	NIST
Vc	[0.508; 0.601]	m3/kmol
Vc	0.601	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Vc	0.508	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.601	m3/kmol	KDB
Vc	0.601	m3/kmol	NIST
Zc	[0.3000000; 0.3012580]
Zc	0.3000000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Zc	0.3012580		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	251.85	J/mol×K	298.15	NIST
Cp,solid	[202.50; 204.39]	J/mol×K	[298.15; 298.15]
Cp,solid	204.39	J/mol×K	298.15	NIST
Cp,solid	202.50	J/mol×K	298.15	NIST
Csat	[285.10; 294.90]	J/mol×K	[370.00; 390.00]
Csat	285.10	J/mol×K	370.00	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	290.00	J/mol×K	380.00	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	294.90	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
ΔfusH	[22.20; 23.35]	kJ/mol	[368.80; 370.20]
ΔfusH	23.35	kJ/mol	368.80	NIST
ΔfusH	23.35	kJ/mol	368.80	NIST
ΔfusH	23.35	kJ/mol	368.81	NIST
ΔfusH	23.35	kJ/mol	368.81	NIST
ΔfusH	22.20	kJ/mol	370.20	NIST
ΔsubH	[83.20; 84.60]	kJ/mol	[350.50; 369.00]
ΔsubH	84.60	kJ/mol	350.50	NIST
ΔsubH	84.00 ± 1.00	kJ/mol	354.50	NIST
ΔsubH	84.00 ± 1.00	kJ/mol	354.50	NIST
ΔsubH	83.20	kJ/mol	369.00	NIST
ΔvapH	[46.60; 59.50]	kJ/mol	[383.50; 560.00]
ΔvapH	59.50	kJ/mol	383.50	NIST
ΔvapH	58.10	kJ/mol	383.50	NIST
ΔvapH	58.60	kJ/mol	383.50	NIST
ΔvapH	59.50	kJ/mol	383.50	NIST
ΔvapH	58.60	kJ/mol	383.50	NIST
ΔvapH	58.10	kJ/mol	383.50	NIST
ΔvapH	58.50	kJ/mol	384.50	NIST
ΔvapH	57.30	kJ/mol	400.00	NIST
ΔvapH	57.30	kJ/mol	400.00	NIST
ΔvapH	54.80	kJ/mol	440.00	NIST
ΔvapH	54.80	kJ/mol	440.00	NIST
ΔvapH	52.20	kJ/mol	480.00	NIST
ΔvapH	52.20	kJ/mol	480.00	NIST
ΔvapH	49.50	kJ/mol	520.00	NIST
ΔvapH	49.50	kJ/mol	520.00	NIST
ΔvapH	46.60	kJ/mol	560.00	NIST
ΔvapH	46.60	kJ/mol	560.00	NIST
ΔfusS	[63.32; 63.32]	J/mol×K	[368.81; 368.81]
ΔfusS	63.32	J/mol×K	368.81	NIST
ΔfusS	63.32	J/mol×K	368.81	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	[0.0007113; 0.0002820]	Pa×s	[369.70; 542.50]	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.			369.70
Temperature range, max.			542.50
η	0.0007113	Pa×s	369.70	Calculated Property
η	0.0006163	Pa×s	388.90	Calculated Property
η	0.0005412	Pa×s	408.10	Calculated Property
η	0.0004809	Pa×s	427.30	Calculated Property
η	0.0004316	Pa×s	446.50	Calculated Property
η	0.0003909	Pa×s	465.70	Calculated Property
η	0.0003568	Pa×s	484.90	Calculated Property
η	0.0003279	Pa×s	504.10	Calculated Property
η	0.0003033	Pa×s	523.30	Calculated Property
η	0.0002820	Pa×s	542.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.22; 202.64]	kPa	[370.15; 569.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40520e+01
Coefficient B			-3.97246e+03
Coefficient C			-1.15106e+02
Temperature range, min.			370.15
Temperature range, max.			569.59
Pvap	0.22	kPa	370.15	Calculated Property
Pvap	0.76	kPa	392.31	Calculated Property
Pvap	2.19	kPa	414.47	Calculated Property
Pvap	5.46	kPa	436.63	Calculated Property
Pvap	12.10	kPa	458.79	Calculated Property
Pvap	24.38	kPa	480.95	Calculated Property
Pvap	45.32	kPa	503.11	Calculated Property
Pvap	78.80	kPa	525.27	Calculated Property
Pvap	129.46	kPa	547.43	Calculated Property
Pvap	202.64	kPa	569.59	Calculated Property
Pvap	[0.37; 3125.85]	kPa	[368.81; 778.00]	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			5.67212e+01
Coefficient B			-8.91493e+03
Coefficient C			-5.70208e+00
Coefficient D			1.22633e-06
Coefficient E			0.00000e+00
Temperature range, min.			368.81
Temperature range, max.			778.00
Pvap	0.37	kPa	368.81	Calculated Property
Pvap	2.85	kPa	414.28	Calculated Property
Pvap	13.90	kPa	459.74	Calculated Property
Pvap	49.05	kPa	505.21	Calculated Property
Pvap	136.62	kPa	550.67	Calculated Property
Pvap	318.46	kPa	596.14	Calculated Property
Pvap	647.51	kPa	641.60	Calculated Property
Pvap	1183.56	kPa	687.07	Calculated Property
Pvap	1989.02	kPa	732.53	Calculated Property
Pvap	3125.85	kPa	778.00	Calculated Property
Pvap	[0.37; 1.49]	kPa	[369.00; 398.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50801e+01
Coefficient B			-4.91871e+03
Coefficient C			-6.29040e+01
Reference			Osborn and Douslin, 1975, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			369.00
Temperature range, max.			398.00
Pvap	0.37	kPa	369.00	Calculated Property
Pvap	0.44	kPa	372.22	Calculated Property
Pvap	0.52	kPa	375.44	Calculated Property
Pvap	0.61	kPa	378.67	Calculated Property
Pvap	0.71	kPa	381.89	Calculated Property
Pvap	0.83	kPa	385.11	Calculated Property
Pvap	0.97	kPa	388.33	Calculated Property
Pvap	1.12	kPa	391.56	Calculated Property
Pvap	1.30	kPa	394.78	Calculated Property
Pvap	1.49	kPa	398.00	Calculated Property
Pvap	[0.37; 1.49]	kPa	[369.00; 398.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50801e+01
Coefficient B			-4.91871e+03
Coefficient C			-6.29040e+01
Reference			Osborn and Douslin, 1975
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			369.00
Temperature range, max.			398.00
Pvap	0.37	kPa	369.00	Calculated Property
Pvap	0.44	kPa	372.22	Calculated Property
Pvap	0.52	kPa	375.44	Calculated Property
Pvap	0.61	kPa	378.67	Calculated Property
Pvap	0.71	kPa	381.89	Calculated Property
Pvap	0.83	kPa	385.11	Calculated Property
Pvap	0.97	kPa	388.33	Calculated Property
Pvap	1.12	kPa	391.56	Calculated Property
Pvap	1.30	kPa	394.78	Calculated Property
Pvap	1.49	kPa	398.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2,7-dimethyl-.

Mixtures

• Naphthalene, 2,6-dimethyl- + Naphthalene, 2,7-dimethyl-
• Naphthalene, 2-methyl- + Naphthalene, 2,7-dimethyl-
• Naphthalene, 1-methyl- + Naphthalene, 2,7-dimethyl-
• Naphthalene, 2,7-dimethyl- + Methyl Alcohol
• Ethanol + Naphthalene, 2,7-dimethyl-
• Naphthalene, 2,6-dimethyl- + Naphthalene, 2,7-dimethyl- + Methyl Alcohol
• Ethanol + Naphthalene, 2,6-dimethyl- + Naphthalene, 2,7-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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons. J. Chem. Eng. Data 1995, 40, 547-558.
• 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
• 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
• Solid-Liquid Phase Equilibria of Binary and Ternary Mixtures for 2,6-Dimethylnaphthalene and 2,7-Dimethylnaphthalene with Ethanol or Methanol
• Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
• Joback Method
• KDB
• 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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