Chemical Properties of 1,8-Dimethylnaphthalene (CAS 569-41-5)

InChI

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

InChI Key

XAABPYINPXYOLM-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1cccc2cccc(C)c12

Molecular Weight¹

156.23

CAS

569-41-5

Other Names

• Naphthalene, 1,8-dimethyl-

• 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).
• 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 standard conditions (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_boilr : Boiling point at reduced pressure (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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4178		Relay (1.0) Calculated Property
ΔcH°solid	[-6463.20; -6463.00]	kJ/mol
ΔcH°solid	-6463.20 ± 2.60	kJ/mol	NIST
ΔcH°solid	-6463.00 ± 1.00	kJ/mol	NIST
ΔfG°	249.96	kJ/mol	Joback Calculated Property
ΔfH°gas	[108.60; 108.80]	kJ/mol
ΔfH°gas	108.80 ± 3.00	kJ/mol	NIST
ΔfH°gas	108.60	kJ/mol	NIST
ΔfH°solid	[25.90; 26.10]	kJ/mol
ΔfH°solid	26.10 ± 3.00	kJ/mol	NIST
ΔfH°solid	25.90 ± 1.20	kJ/mol	NIST
ΔfusH°	18.53	kJ/mol	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
ΔsubH°	[82.70; 82.70]	kJ/mol
ΔsubH°	82.70 ± 0.30	kJ/mol	NIST
ΔsubH°	82.70 ± 0.30	kJ/mol	NIST
ΔsubH°	82.70	kJ/mol	NIST
ΔvapH°	64.72	kJ/mol	Relay (1.0) Calculated Property
IE	[7.50; 8.30]	eV
IE	7.50	eV	NIST
IE	8.30 ± 0.05	eV	NIST
IE	7.71	eV	NIST
IE	7.64 ± 0.03	eV	NIST
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	3.457		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Inp	[249.39; 1480.00]
Inp	1472.70		NIST
Inp	1459.70		NIST
Inp	1450.00		NIST
Inp	1440.80		NIST
Inp	1456.80		NIST
Inp	1472.40		NIST
Inp	1449.00		NIST
Inp	1471.00		NIST
Inp	1472.70		NIST
Inp	1472.10		NIST
Inp	1459.70		NIST
Inp	1480.00		NIST
Inp	1459.70		NIST
Inp	1472.70		NIST
Inp	1480.00		NIST
Inp	1472.10		NIST
Inp	1450.00		NIST
Inp	1457.00		NIST
Inp	1448.00		NIST
Inp	1449.00		NIST
Inp	1449.00		NIST
Inp	249.39		NIST
Inp	252.00		NIST
Inp	249.52		NIST
Inp	250.70		NIST
Inp	249.52		NIST
Inp	1440.80		NIST
Inp	1457.00		NIST
Inp	250.70		NIST
Inp	249.39		NIST
Ip	[1989.00; 1989.00]
Ip	1989.00		NIST
Ip	1989.00		NIST
S°solid,1 bar	224.72	J/mol×K	NIST
Tboil	526.12	K	Relay (1.0) Calculated Property
Tc	775.06	K	Relay (1.0) Calculated Property
Tfus	[335.00; 338.15]	K
Tfus	338.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	335.00 ± 2.00	K	NIST
Ttriple	[336.32; 336.32]	K
Ttriple	336.32 ± 0.02	K	NIST
Ttriple	336.32 ± 0.02	K	NIST
Ttriple	336.32 ± 0.02	K	NIST
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[241.80; 242.80]	J/mol×K	[298.15; 298.15]
Cp,solid	242.80	J/mol×K	298.15	NIST
Cp,solid	241.80	J/mol×K	298.15	NIST
Csat	[279.50; 320.00]	J/mol×K	[350.00; 430.00]
Csat	279.50	J/mol×K	350.00	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	284.50	J/mol×K	360.00	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	289.60	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	294.70	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	299.70	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	304.80	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	309.80	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	314.90	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	320.00	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
ΔfusH	[0.05; 18.53]	kJ/mol	[336.30; 338.20]
ΔfusH	15.77	kJ/mol	336.30	NIST
ΔfusH	15.77	kJ/mol	336.30	NIST
ΔfusH	0.05	kJ/mol	336.33	NIST
ΔfusH	0.05	kJ/mol	336.33	NIST
ΔfusH	18.53	kJ/mol	338.20	NIST
ΔsubH	[77.90; 79.60]	kJ/mol	[332.00; 336.00]
ΔsubH	77.90	kJ/mol	332.00	NIST
ΔsubH	79.60	kJ/mol	336.00	NIST
ΔvapH	[59.70; 64.80]	kJ/mol	[375.50; 375.50]
ΔvapH	62.80	kJ/mol	375.50	NIST
ΔvapH	64.80	kJ/mol	375.50	NIST
ΔvapH	62.20	kJ/mol	375.50	NIST
ΔvapH	60.70	kJ/mol	375.50	NIST
ΔvapH	59.70	kJ/mol	375.50	NIST
ΔvapH	64.80	kJ/mol	375.50	NIST
ΔvapH	62.20	kJ/mol	375.50	NIST
ΔvapH	60.70	kJ/mol	375.50	NIST
ΔvapH	59.70	kJ/mol	375.50	NIST
ΔfusS	[46.86; 46.86]	J/mol×K	[336.33; 336.33]
ΔfusS	46.86	J/mol×K	336.33	NIST
ΔfusS	46.86	J/mol×K	336.33	NIST

Pressure Dependent Properties

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	[0.0009466; 0.0002922]	Pa×s	[336.57; 533.00]	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.			336.57
Temperature range, max.			533.00
η	0.0009466	Pa×s	336.57	Calculated Property
η	0.0007795	Pa×s	358.40	Calculated Property
η	0.0006563	Pa×s	380.22	Calculated Property
η	0.0005631	Pa×s	402.05	Calculated Property
η	0.0004907	Pa×s	423.87	Calculated Property
η	0.0004335	Pa×s	445.70	Calculated Property
η	0.0003874	Pa×s	467.52	Calculated Property
η	0.0003497	Pa×s	489.35	Calculated Property
η	0.0003184	Pa×s	511.17	Calculated Property
η	0.0002922	Pa×s	533.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[402.00; 552.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58900e+01
Coefficient B			-4.93899e+03
Coefficient C			-8.54500e+01
Temperature range, min.			402.00
Temperature range, max.			552.34
Pvap	1.33	kPa	402.00	Calculated Property
Pvap	2.91	kPa	418.70	Calculated Property
Pvap	5.91	kPa	435.41	Calculated Property
Pvap	11.24	kPa	452.11	Calculated Property
Pvap	20.22	kPa	468.82	Calculated Property
Pvap	34.63	kPa	485.52	Calculated Property
Pvap	56.80	kPa	502.23	Calculated Property
Pvap	89.68	kPa	518.93	Calculated Property
Pvap	136.87	kPa	535.64	Calculated Property
Pvap	202.66	kPa	552.34	Calculated Property
Pvap	[0.03; 1.79]	kPa	[338.00; 413.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49072e+01
Coefficient B			-4.95365e+03
Coefficient C			-6.71920e+01
Reference			Osborn and Douslin, 1975, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			338.00
Temperature range, max.			413.00
Pvap	0.03	kPa	338.00	Calculated Property
Pvap	0.06	kPa	346.33	Calculated Property
Pvap	0.10	kPa	354.67	Calculated Property
Pvap	0.16	kPa	363.00	Calculated Property
Pvap	0.25	kPa	371.33	Calculated Property
Pvap	0.39	kPa	379.67	Calculated Property
Pvap	0.59	kPa	388.00	Calculated Property
Pvap	0.87	kPa	396.33	Calculated Property
Pvap	1.26	kPa	404.67	Calculated Property
Pvap	1.79	kPa	413.00	Calculated Property
Pvap	[0.03; 1.79]	kPa	[338.00; 413.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49072e+01
Coefficient B			-4.95365e+03
Coefficient C			-6.71920e+01
Reference			Osborn and Douslin, 1975
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			338.00
Temperature range, max.			413.00
Pvap	0.03	kPa	338.00	Calculated Property
Pvap	0.06	kPa	346.33	Calculated Property
Pvap	0.10	kPa	354.67	Calculated Property
Pvap	0.16	kPa	363.00	Calculated Property
Pvap	0.25	kPa	371.33	Calculated Property
Pvap	0.39	kPa	379.67	Calculated Property
Pvap	0.59	kPa	388.00	Calculated Property
Pvap	0.87	kPa	396.33	Calculated Property
Pvap	1.26	kPa	404.67	Calculated Property
Pvap	1.79	kPa	413.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Dimethylnaphthalene.

Mixtures

• Naphthalene, 2,6-dimethyl- + 1,8-Dimethylnaphthalene

Sources

• 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).
• 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 Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
• Joback 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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