Chemical Properties of 1,4,5,8-TETRAMETHYLNAPHTHALENE (CAS 2717-39-7)

InChI

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

InChI Key

DWUSGRRPJCRNCI-UHFFFAOYSA-N

Formula

C14H16

SMILES

Cc1ccc(C)c2c(C)ccc(C)c12

Molecular Weight¹

184.28

CAS

2717-39-7

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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	0.5104		Relay (1.0) Calculated Property
ΔcH°solid	-7777.60 ± 2.80	kJ/mol	NIST
ΔfG°	247.54	kJ/mol	Joback Calculated Property
ΔfH°gas	81.60 ± 3.60	kJ/mol	NIST
ΔfH°solid	-18.20 ± 3.40	kJ/mol	NIST
ΔfusH°	21.52	kJ/mol	Joback Calculated Property
ΔsubH°	[99.80; 99.80]	kJ/mol
ΔsubH°	99.80 ± 1.40	kJ/mol	NIST
ΔsubH°	99.80 ± 1.40	kJ/mol	NIST
ΔsubH°	99.80	kJ/mol	NIST
ΔvapH°	74.31	kJ/mol	Relay (1.0) Calculated Property
IE	7.58	eV	Relay (1.0) Calculated Property
log10WS	-5.19		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
Tboil	559.07	K	Relay (1.0) Calculated Property
Tc	796.86	K	Relay (1.0) Calculated Property
Tfus	404.00 ± 4.00	K	NIST
Vc	0.617	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	[0.0006572; 0.0002875]	Pa×s	[404.00; 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.			404.00
Temperature range, max.			567.46
η	0.0006572	Pa×s	404.00	Calculated Property
η	0.0005809	Pa×s	422.16	Calculated Property
η	0.0005187	Pa×s	440.33	Calculated Property
η	0.0004673	Pa×s	458.49	Calculated Property
η	0.0004244	Pa×s	476.65	Calculated Property
η	0.0003881	Pa×s	494.81	Calculated Property
η	0.0003572	Pa×s	512.98	Calculated Property
η	0.0003306	Pa×s	531.14	Calculated Property
η	0.0003076	Pa×s	549.30	Calculated Property
η	0.0002875	Pa×s	567.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[438.33; 590.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63870e+01
Coefficient B			-5.38420e+03
Coefficient C			-1.03895e+02
Temperature range, min.			438.33
Temperature range, max.			590.03
Pvap	1.33	kPa	438.33	Calculated Property
Pvap	2.89	kPa	455.19	Calculated Property
Pvap	5.82	kPa	472.04	Calculated Property
Pvap	11.05	kPa	488.90	Calculated Property
Pvap	19.86	kPa	505.75	Calculated Property
Pvap	34.06	kPa	522.61	Calculated Property
Pvap	56.02	kPa	539.46	Calculated Property
Pvap	88.78	kPa	556.32	Calculated Property
Pvap	136.14	kPa	573.17	Calculated Property
Pvap	202.65	kPa	590.03	Calculated Property

Similar Compounds

Find more compounds similar to 1,4,5,8-TETRAMETHYLNAPHTHALENE.

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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