Chemical Properties of Naphthalene, 2,3,6,7-tetramethyl- (CAS 1134-40-3)

InChI

InChI=1S/C14H16/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2/h5-8H,1-4H3

InChI Key

QYEOHOUFXNEWEI-UHFFFAOYSA-N

Formula

C14H16

SMILES

Cc1cc2cc(C)c(C)cc2cc1C

Molecular Weight¹

184.28

CAS

1134-40-3

Other Names

• 2,3,6,7-tetramethylnaphthalene

• 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.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5133		Relay (1.0) Calculated Property
ΔfG°	247.54	kJ/mol	Joback Calculated Property
ΔfH°gas	37.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.52	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
IE	7.60 ± 0.03	eV	NIST
log10WS	-6.16		Relay (1.0) Calculated Property
logPoct/wat	4.073		Crippen Calculated Property
McVol	164.900	ml/mol	McGowan Calculated Property
Pc	2388.85	kPa	Joback Calculated Property
Inp	[287.30; 1698.00]
Inp	1656.80		NIST
Inp	1698.00		NIST
Inp	290.08		NIST
Inp	287.67		NIST
Inp	287.30		NIST
Inp	290.08		NIST
Tboil	574.49	K	Relay (1.0) Calculated Property
Tc	807.01	K	Relay (1.0) Calculated Property
Tfus	454.77	K	Relay (1.0) Calculated Property
Vc	0.626	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.42; 520.13]	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			-1.79900e+01
Coefficient B			1.01328e+00
Coefficient C			-6.37560e-04
Coefficient D			1.62400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.42	J/mol×K	273.00	Calculated Property
Cp,gas	267.88	J/mol×K	353.78	Calculated Property
Cp,gas	315.27	J/mol×K	434.56	Calculated Property
Cp,gas	357.10	J/mol×K	515.33	Calculated Property
Cp,gas	393.88	J/mol×K	596.11	Calculated Property
Cp,gas	426.14	J/mol×K	676.89	Calculated Property
Cp,gas	454.38	J/mol×K	757.67	Calculated Property
Cp,gas	479.11	J/mol×K	838.44	Calculated Property
Cp,gas	500.86	J/mol×K	919.22	Calculated Property
Cp,gas	520.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009613; 0.0002875]	Pa×s	[356.74; 567.46]	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			-1.01975e+01
Coefficient B			1.15950e+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.			356.74
Temperature range, max.			567.46
η	0.0009613	Pa×s	356.74	Calculated Property
η	0.0007869	Pa×s	380.15	Calculated Property
η	0.0006593	Pa×s	403.57	Calculated Property
η	0.0005632	Pa×s	426.98	Calculated Property
η	0.0004890	Pa×s	450.39	Calculated Property
η	0.0004306	Pa×s	473.81	Calculated Property
η	0.0003837	Pa×s	497.22	Calculated Property
η	0.0003455	Pa×s	520.64	Calculated Property
η	0.0003139	Pa×s	544.05	Calculated Property
η	0.0002875	Pa×s	567.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[442.11; 588.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68971e+01
Coefficient B			-5.61760e+03
Coefficient C			-1.03895e+02
Temperature range, min.			442.11
Temperature range, max.			588.77
Pvap	1.33	kPa	442.11	Calculated Property
Pvap	2.86	kPa	458.41	Calculated Property
Pvap	5.74	kPa	474.70	Calculated Property
Pvap	10.86	kPa	491.00	Calculated Property
Pvap	19.52	kPa	507.29	Calculated Property
Pvap	33.52	kPa	523.59	Calculated Property
Pvap	55.28	kPa	539.88	Calculated Property
Pvap	87.94	kPa	556.18	Calculated Property
Pvap	135.44	kPa	572.47	Calculated Property
Pvap	202.65	kPa	588.77	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2,3,6,7-tetramethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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