Chemical Properties of Naphthalene, 1,7-dimethyl- (CAS 575-37-1)

InChI

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

InChI Key

SPUWFVKLHHEKGV-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1ccc2cccc(C)c2c1

Molecular Weight¹

156.22

CAS

575-37-1

Other Names

• 1,7-Dimethyl naphthalene
• 1,7-Dimethylnaphthalene
• Naphthalene, 3,5-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_vapH° : Enthalpy of vaporization at standard conditions (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_boilr : Boiling point at reduced pressure (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	[0.4327; 0.4430]
ω	0.4327		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	94.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	64.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-4.48		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	[240.66; 1423.00]
Inp	1389.60		NIST
Inp	1414.00		NIST
Inp	1414.00		NIST
Inp	1415.00		NIST
Inp	1423.00		NIST
Inp	1409.00		NIST
Inp	1422.40		NIST
Inp	1410.00		NIST
Inp	1418.00		NIST
Inp	1396.00		NIST
Inp	1418.70		NIST
Inp	1409.00		NIST
Inp	1414.00		NIST
Inp	1396.00		NIST
Inp	1386.00		NIST
Inp	1409.50		NIST
Inp	1410.00		NIST
Inp	242.99		NIST
Inp	240.66		NIST
Inp	243.20		NIST
Inp	243.75		NIST
Inp	243.05		NIST
Inp	242.19		NIST
Inp	242.90		NIST
Inp	242.77		NIST
Inp	240.66		NIST
Inp	243.80		NIST
Inp	240.70		NIST
Inp	244.29		NIST
Inp	242.60		NIST
Inp	244.10		NIST
Inp	242.80		NIST
Inp	242.80		NIST
Inp	1409.50		NIST
Inp	1409.00		NIST
Inp	242.99		NIST
Inp	242.19		NIST
Inp	1396.00		NIST
Ip	[2000.00; 2000.00]
Ip	2000.00		NIST
Ip	2000.00		NIST
Ip	2000.00		NIST
Ip	2000.00		NIST
Tboil	[531.00; 536.20]	K
Tboil	536.20	K	KDB
Tboil	536.00 ± 1.00	K	NIST
Tboil	535.90 ± 2.00	K	NIST
Tboil	536.00 ± 4.00	K	NIST
Tboil	535.00 ± 4.00	K	NIST
Tboil	Outlier 531.00 ± 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	[259.25; 260.00]	K
Tfus	259.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	260.00	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

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	[0.0024367; 0.0002825]	Pa×s	[259.62; 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.			259.62
Temperature range, max.			542.08
η	0.0024367	Pa×s	259.62	Calculated Property
η	0.0015599	Pa×s	291.01	Calculated Property
η	0.0010892	Pa×s	322.39	Calculated Property
η	0.0008106	Pa×s	353.78	Calculated Property
η	0.0006330	Pa×s	385.16	Calculated Property
η	0.0005131	Pa×s	416.54	Calculated Property
η	0.0004283	Pa×s	447.93	Calculated Property
η	0.0003661	Pa×s	479.31	Calculated Property
η	0.0003190	Pa×s	510.70	Calculated Property
η	0.0002825	Pa×s	542.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[404.66; 569.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40634e+01
Coefficient B			-3.94601e+03
Coefficient C			-1.18215e+02
Temperature range, min.			404.66
Temperature range, max.			569.09
Pvap	1.33	kPa	404.66	Calculated Property
Pvap	3.05	kPa	422.93	Calculated Property
Pvap	6.33	kPa	441.20	Calculated Property
Pvap	12.18	kPa	459.47	Calculated Property
Pvap	21.93	kPa	477.74	Calculated Property
Pvap	37.28	kPa	496.01	Calculated Property
Pvap	60.36	kPa	514.28	Calculated Property
Pvap	93.66	kPa	532.55	Calculated Property
Pvap	140.03	kPa	550.82	Calculated Property
Pvap	202.66	kPa	569.09	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,7-dimethyl-.

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).
• 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
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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