Chemical Properties of Naphthalene, 1,6-dimethyl- (CAS 575-43-9)

InChI

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

InChI Key

CBMXCNPQDUJNHT-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1ccc2c(C)cccc2c1

Molecular Weight¹

156.22

CAS

575-43-9

Other Names

• 1,6-Dimethyl naphthalene
• 1,6-dimethylnaphthalene
• Dimethylnaphthalene

• 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_fusH : Enthalpy of fusion 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.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.4120; 0.4430]
ω	0.4120		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4430		KDB
ΔfG°	249.96	kJ/mol	Joback Calculated Property
ΔfH°gas	95.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.50	kJ/mol	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
ΔvapH°	65.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.62	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
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	[240.70; 1471.00]
Inp	1431.00		NIST
Inp	1431.00		NIST
Inp	1431.00		NIST
Inp	1443.00		NIST
Inp	1402.00		NIST
Inp	1387.00		NIST
Inp	1419.00		NIST
Inp	1408.40		NIST
Inp	1419.60		NIST
Inp	1427.30		NIST
Inp	1442.60		NIST
Inp	1408.40		NIST
Inp	1419.60		NIST
Inp	1427.30		NIST
Inp	1383.86		NIST
Inp	1428.00		NIST
Inp	1418.70		NIST
Inp	1387.00		NIST
Inp	1414.00		NIST
Inp	1427.00		NIST
Inp	1471.00		NIST
Inp	1397.00		NIST
Inp	1402.20		NIST
Inp	1425.00		NIST
Inp	1426.00		NIST
Inp	243.76		NIST
Inp	240.72		NIST
Inp	243.96		NIST
Inp	246.56		NIST
Inp	243.57		NIST
Inp	242.97		NIST
Inp	244.06		NIST
Inp	243.50		NIST
Inp	244.66		NIST
Inp	244.06		NIST
Inp	243.30		NIST
Inp	240.72		NIST
Inp	243.90		NIST
Inp	243.80		NIST
Inp	240.70		NIST
Inp	244.29		NIST
Inp	244.40		NIST
Inp	243.30		NIST
Inp	243.40		NIST
Inp	243.90		NIST
Inp	243.30		NIST
Inp	1387.00		NIST
Inp	1427.00		NIST
Ip	[2006.00; 2007.00]
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2007.00		NIST
Tboil	[527.00; 538.80]	K
Tboil	536.20	K	KDB
Tboil	538.70	K	NIST
Tboil	537.00 ± 0.60	K	NIST
Tboil	Outlier 527.00 ± 10.00	K	NIST
Tboil	538.80 ± 1.50	K	NIST
Tboil	537.90 ± 2.00	K	NIST
Tboil	537.00 ± 4.00	K	NIST
Tboil	537.00 ± 5.00	K	NIST
Tboil	536.00 ± 3.00	K	NIST
Tboil	536.00 ± 4.00	K	NIST
Tboil	535.70 ± 2.00	K	NIST
Tboil	529.00 ± 6.00	K	NIST
Tboil	536.00 ± 4.00	K	NIST
Tc	[770.60; 778.20]	K
Tc	778.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	770.60	K	KDB
Tfus	[256.25; 259.00]	K
Tfus	256.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	259.00	K	KDB
Vc	[0.473; 0.521]	m3/kmol
Vc	0.473	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.521	m3/kmol	KDB
Zc	0.2449940		KDB

Temperature 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	[0.0025162; 0.0002825]	Pa×s	[257.62; 542.08]	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.			257.62
Temperature range, max.			542.08
η	0.0025162	Pa×s	257.62	Calculated Property
η	0.0015957	Pa×s	289.23	Calculated Property
η	0.0011070	Pa×s	320.84	Calculated Property
η	0.0008200	Pa×s	352.44	Calculated Property
η	0.0006381	Pa×s	384.05	Calculated Property
η	0.0005159	Pa×s	415.66	Calculated Property
η	0.0004298	Pa×s	447.26	Calculated Property
η	0.0003669	Pa×s	478.87	Calculated Property
η	0.0003193	Pa×s	510.47	Calculated Property
η	0.0002825	Pa×s	542.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[394.06; 570.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49901e+01
Coefficient B			-4.99771e+03
Coefficient C			-5.41420e+01
Temperature range, min.			394.06
Temperature range, max.			570.51
Pvap	1.33	kPa	394.06	Calculated Property
Pvap	2.97	kPa	413.67	Calculated Property
Pvap	6.10	kPa	433.27	Calculated Property
Pvap	11.66	kPa	452.88	Calculated Property
Pvap	20.98	kPa	472.48	Calculated Property
Pvap	35.82	kPa	492.09	Calculated Property
Pvap	58.40	kPa	511.69	Calculated Property
Pvap	91.48	kPa	531.30	Calculated Property
Pvap	138.31	kPa	550.90	Calculated Property
Pvap	202.65	kPa	570.51	Calculated Property
Pvap	[4.08; 3099.56]	kPa	[421.15; 770.60]	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			-1.16256e+01
Coefficient B			-4.99386e+03
Coefficient C			4.20934e+00
Coefficient D			-3.09034e-06
Coefficient E			0.00000e+00
Temperature range, min.			421.15
Temperature range, max.			770.60
Pvap	4.08	kPa	421.15	Calculated Property
Pvap	14.47	kPa	459.98	Calculated Property
Pvap	42.23	kPa	498.81	Calculated Property
Pvap	105.36	kPa	537.63	Calculated Property
Pvap	231.11	kPa	576.46	Calculated Property
Pvap	455.30	kPa	615.29	Calculated Property
Pvap	818.94	kPa	654.12	Calculated Property
Pvap	1362.24	kPa	692.94	Calculated Property
Pvap	2117.12	kPa	731.77	Calculated Property
Pvap	3099.56	kPa	770.60	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,6-dimethyl-.

Mixtures

• Naphthalene, 2,6-dimethyl- + Naphthalene, 1,6-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
• Crippen Method
• Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 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
• Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.