Chemical Properties of 1,3,8-Trimethylnaphthalene (CAS 17057-91-9)

InChI

InChI=1S/C13H14/c1-9-7-11(3)13-10(2)5-4-6-12(13)8-9/h4-8H,1-3H3

InChI Key

XYTKCJHHXQVFCK-UHFFFAOYSA-N

Formula

C13H14

SMILES

Cc1cc(C)c2c(C)cccc2c1

Molecular Weight¹

170.25

CAS

17057-91-9

• 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	0.4643		Relay (1.0) Calculated Property
ΔfG°	248.75	kJ/mol	Joback Calculated Property
ΔfH°gas	84.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔvapH°	69.40	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	3.765		Crippen Calculated Property
McVol	150.810	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[261.68; 261.68]
Inp	261.68		NIST
Inp	261.68		NIST
Tboil	543.29	K	Relay (1.0) Calculated Property
Tc	788.35	K	Relay (1.0) Calculated Property
Tfus	299.33	K	Relay (1.0) Calculated Property
Vc	0.565	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.00; 420.56]	J/mol×K	[557.44; 785.77]
Cp,gas	342.00	J/mol×K	557.44	Joback Calculated Property
Cp,gas	357.34	J/mol×K	595.49	Joback Calculated Property
Cp,gas	371.70	J/mol×K	633.55	Joback Calculated Property
Cp,gas	385.15	J/mol×K	671.60	Joback Calculated Property
Cp,gas	397.73	J/mol×K	709.66	Joback Calculated Property
Cp,gas	409.52	J/mol×K	747.71	Joback Calculated Property
Cp,gas	420.56	J/mol×K	785.77	Joback Calculated Property
η	[0.0002834; 0.0010939]	Pa×s	[332.95; 557.44]
η	0.0010939	Pa×s	332.95	Joback Calculated Property
η	0.0007795	Pa×s	370.37	Joback Calculated Property
η	0.0005911	Pa×s	407.78	Joback Calculated Property
η	0.0004696	Pa×s	445.20	Joback Calculated Property
η	0.0003866	Pa×s	482.61	Joback Calculated Property
η	0.0003273	Pa×s	520.03	Joback Calculated Property
η	0.0002834	Pa×s	557.44	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[403.15; 575.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.70870e+01
Coefficient B			-6.76700e+03
Coefficient C			-3.39000e-01
Temperature range, min.			403.15
Temperature range, max.			575.00
Pvap	1.33	kPa	403.15	Calculated Property
Pvap	2.85	kPa	422.24	Calculated Property
Pvap	5.71	kPa	441.34	Calculated Property
Pvap	10.80	kPa	460.43	Calculated Property
Pvap	19.40	kPa	479.53	Calculated Property
Pvap	33.33	kPa	498.62	Calculated Property
Pvap	55.02	kPa	517.72	Calculated Property
Pvap	87.63	kPa	536.81	Calculated Property
Pvap	135.19	kPa	555.91	Calculated Property
Pvap	202.63	kPa	575.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,8-Trimethylnaphthalene.

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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