Chemical Properties of Naphthalene, 1,2-dimethyl- (CAS 573-98-8)

InChI

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

InChI Key

QNLZIZAQLLYXTC-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1ccc2ccccc2c1C

Molecular Weight¹

156.22

CAS

573-98-8

Other Names

• 1,2-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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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 : 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	0.4430		KDB
ΔfG°	249.96	kJ/mol	Joback Calculated Property
ΔfH°gas	113.65	kJ/mol	Joback Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	47.55	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.457		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	3010.00	kPa	KDB
Inp	[236.49; 1462.00]
Inp	1420.20		NIST
Inp	1447.00		NIST
Inp	1448.00		NIST
Inp	1447.00		NIST
Inp	1456.00		NIST
Inp	1430.00		NIST
Inp	1447.00		NIST
Inp	1439.70		NIST
Inp	1455.10		NIST
Inp	1432.00		NIST
Inp	1452.20		NIST
Inp	1451.10		NIST
Inp	1439.60		NIST
Inp	1452.20		NIST
Inp	1459.10		NIST
Inp	1439.60		NIST
Inp	1452.20		NIST
Inp	1459.10		NIST
Inp	1452.20		NIST
Inp	1451.10		NIST
Inp	1462.00		NIST
Inp	1450.60		NIST
Inp	1439.00		NIST
Inp	1440.00		NIST
Inp	1444.00		NIST
Inp	1433.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	248.92		NIST
Inp	236.49		NIST
Inp	249.53		NIST
Inp	246.56		NIST
Inp	247.14		NIST
Inp	249.02		NIST
Inp	248.47		NIST
Inp	248.24		NIST
Inp	249.04		NIST
Inp	248.70		NIST
Inp	249.67		NIST
Inp	248.50		NIST
Inp	246.49		NIST
Inp	247.30		NIST
Inp	246.50		NIST
Inp	249.70		NIST
Inp	246.49		NIST
Inp	248.60		NIST
Inp	248.80		NIST
Inp	248.80		NIST
Inp	1432.00		NIST
Inp	1433.00		NIST
Inp	247.30		NIST
Inp	248.80		NIST
Inp	1420.20		NIST
Inp	1430.00		NIST
Inp	1440.00		NIST
I	[2072.00; 2073.00]
I	2072.00		NIST
I	2072.00		NIST
I	2073.00		NIST
I	2072.00		NIST
Tboil	[498.00; 541.70]	K
Tboil	539.50	K	KDB
Tboil	539.70	K	NIST
Tboil	541.70 ± 2.00	K	NIST
Tboil	498.00 ± 30.00	K	NIST
Tboil	539.00 ± 6.00	K	NIST
Tc	775.30	K	KDB
Tfus	[270.15; 272.00]	K
Tfus	272.00	K	KDB
Tfus	270.15 ± 0.70	K	NIST
Vc	0.521	m3/kmol	KDB
Zc	0.2435090		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.31; 371.48]	J/mol×K	[529.58; 761.14]
Cp,gas	296.31	J/mol×K	529.58	Joback Calculated Property
Cp,gas	311.16	J/mol×K	568.17	Joback Calculated Property
Cp,gas	325.00	J/mol×K	606.77	Joback Calculated Property
Cp,gas	337.89	J/mol×K	645.36	Joback Calculated Property
Cp,gas	349.89	J/mol×K	683.95	Joback Calculated Property
Cp,gas	361.06	J/mol×K	722.55	Joback Calculated Property
Cp,gas	371.48	J/mol×K	761.14	Joback Calculated Property
η	[0.0002960; 0.0012561]	Pa×s	[309.16; 529.58]
η	0.0012561	Pa×s	309.16	Joback Calculated Property
η	0.0008686	Pa×s	345.90	Joback Calculated Property
η	0.0006448	Pa×s	382.63	Joback Calculated Property
η	0.0005043	Pa×s	419.37	Joback Calculated Property
η	0.0004103	Pa×s	456.11	Joback Calculated Property
η	0.0003443	Pa×s	492.84	Joback Calculated Property
η	0.0002960	Pa×s	529.58	Joback Calculated Property
ΔvapH	50.21	kJ/mol	539.50	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[403.10; 573.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43726e+01
Coefficient B			-4.33355e+03
Coefficient C			-9.54250e+01
Temperature range, min.			403.10
Temperature range, max.			573.69
Pvap	1.33	kPa	403.10	Calculated Property
Pvap	3.02	kPa	422.05	Calculated Property
Pvap	6.25	kPa	441.01	Calculated Property
Pvap	12.00	kPa	459.96	Calculated Property
Pvap	21.59	kPa	478.92	Calculated Property
Pvap	36.77	kPa	497.87	Calculated Property
Pvap	59.67	kPa	516.83	Calculated Property
Pvap	92.90	kPa	535.78	Calculated Property
Pvap	139.44	kPa	554.74	Calculated Property
Pvap	202.67	kPa	573.69	Calculated Property
Pvap	[1.32; 3012.77]	kPa	[402.15; 775.34]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.39506e+02
Coefficient B			-1.36972e+04
Coefficient C			-1.77204e+01
Coefficient D			6.76958e-06
Temperature range, min.			402.15
Temperature range, max.			775.34
Pvap	1.32	kPa	402.15	Calculated Property
Pvap	7.08	kPa	443.62	Calculated Property
Pvap	26.41	kPa	485.08	Calculated Property
Pvap	75.78	kPa	526.55	Calculated Property
Pvap	179.62	kPa	568.01	Calculated Property
Pvap	369.96	kPa	609.48	Calculated Property
Pvap	687.06	kPa	650.94	Calculated Property
Pvap	1182.44	kPa	692.41	Calculated Property
Pvap	1925.19	kPa	733.87	Calculated Property
Pvap	3012.77	kPa	775.34	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,2-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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