Chemical Properties of 1,5-DIMETHYLNAPHTHALENE (CAS 571-61-9)

InChI

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

InChI Key

SDDBCEWUYXVGCQ-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1cccc2c(C)cccc12

Molecular Weight¹

156.23

CAS

571-61-9

Other Names

• 1,5-Dimethlnapthalene
• 1,5-Dimethyl naphthalene
• naphthalene, 1,5-dimethyl-

• 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	[0.4261; 0.4430]
ω	0.4261		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	88.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.00	kJ/mol	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
ΔvapH°	66.54	kJ/mol	Relay (1.0) Calculated Property
IE	[7.85; 8.30]	eV
IE	8.30 ± 0.05	eV	NIST
IE	7.85 ± 0.03	eV	NIST
log10WS	[-4.74; -4.68]
log10WS	-4.74		Aq. Solubility Prediction
log10WS	-4.68		Estimated Solubility
logPoct/wat	3.457		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	[3010.00; 3219.10]	kPa
Pc	3219.10	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3010.00	kPa	KDB
Inp	[244.98; 1450.00]
Inp	1440.00		NIST
Inp	1440.00		NIST
Inp	1448.00		NIST
Inp	1445.80		NIST
Inp	1421.00		NIST
Inp	1399.00		NIST
Inp	1428.30		NIST
Inp	1439.80		NIST
Inp	1446.40		NIST
Inp	1428.30		NIST
Inp	1439.80		NIST
Inp	1446.40		NIST
Inp	1398.40		NIST
Inp	1398.00		NIST
Inp	1450.00		NIST
Inp	1438.40		NIST
Inp	1425.00		NIST
Inp	1400.00		NIST
Inp	1430.00		NIST
Inp	1420.00		NIST
Inp	1446.00		NIST
Inp	1420.70		NIST
Inp	246.51		NIST
Inp	244.98		NIST
Inp	247.00		NIST
Inp	245.83		NIST
Inp	246.70		NIST
Inp	247.62		NIST
Inp	246.92		NIST
Inp	244.98		NIST
Inp	245.60		NIST
Inp	247.30		NIST
Inp	245.00		NIST
Inp	247.62		NIST
Inp	246.80		NIST
Inp	246.80		NIST
Inp	1420.00		NIST
Inp	1438.40		NIST
Ip	2048.00		NIST
Tboil	[538.00; 542.30]	K
Tboil	538.20	K	KDB
Tboil	538.20	K	NIST
Tboil	542.30 ± 2.00	K	NIST
Tboil	538.00 ± 6.00	K	NIST
Tc	[773.50; 781.30]	K
Tc	781.30	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	773.50	K	KDB
Tfus	[351.00; 355.15]	K
Tfus	354.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	355.00	K	KDB
Tfus	351.00 ± 2.00	K	NIST
Tfus	354.00 ± 4.00	K	NIST
Tfus	355.15 ± 0.50	K	NIST
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	0.2440750		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	[0.0008100; 0.0002803]	Pa×s	[353.86; 544.18]	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.			353.86
Temperature range, max.			544.18
η	0.0008100	Pa×s	353.86	Calculated Property
η	0.0006826	Pa×s	375.01	Calculated Property
η	0.0005859	Pa×s	396.15	Calculated Property
η	0.0005107	Pa×s	417.30	Calculated Property
η	0.0004511	Pa×s	438.45	Calculated Property
η	0.0004030	Pa×s	459.59	Calculated Property
η	0.0003637	Pa×s	480.74	Calculated Property
η	0.0003310	Pa×s	501.89	Calculated Property
η	0.0003036	Pa×s	523.03	Calculated Property
η	0.0002803	Pa×s	544.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[399.51; 572.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46150e+01
Coefficient B			-4.58671e+03
Coefficient C			-7.93770e+01
Temperature range, min.			399.51
Temperature range, max.			572.38
Pvap	1.33	kPa	399.51	Calculated Property
Pvap	3.00	kPa	418.72	Calculated Property
Pvap	6.19	kPa	437.93	Calculated Property
Pvap	11.86	kPa	457.13	Calculated Property
Pvap	21.34	kPa	476.34	Calculated Property
Pvap	36.37	kPa	495.55	Calculated Property
Pvap	59.15	kPa	514.76	Calculated Property
Pvap	92.31	kPa	533.96	Calculated Property
Pvap	138.97	kPa	553.17	Calculated Property
Pvap	202.63	kPa	572.38	Calculated Property
Pvap	[3.40; 2943.97]	kPa	[423.15; 773.47]	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			2.13472e+02
Coefficient B			-1.76632e+04
Coefficient C			-2.85522e+01
Coefficient D			1.21170e-05
Coefficient E			0.00000e+00
Temperature range, min.			423.15
Temperature range, max.			773.47
Pvap	3.40	kPa	423.15	Calculated Property
Pvap	14.08	kPa	462.07	Calculated Property
Pvap	42.94	kPa	501.00	Calculated Property
Pvap	105.23	kPa	539.92	Calculated Property
Pvap	220.54	kPa	578.85	Calculated Property
Pvap	413.61	kPa	617.77	Calculated Property
Pvap	717.77	kPa	656.70	Calculated Property
Pvap	1181.94	kPa	695.62	Calculated Property
Pvap	1882.63	kPa	734.55	Calculated Property
Pvap	2943.97	kPa	773.47	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-DIMETHYLNAPHTHALENE.

Mixtures

• 1,5-DIMETHYLNAPHTHALENE + Naphthalene, 2,6-dimethyl-
• Naphthalene, 1-methyl- + 1,5-DIMETHYLNAPHTHALENE
• Naphthalene, 2-methyl- + 1,5-DIMETHYLNAPHTHALENE

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
• 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

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