Chemical Properties of Naphthalene, 7-butyl-1-hexyl- (CAS 55000-55-0)

InChI

InChI=1S/C20H28/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h9,12-16H,3-8,10-11H2,1-2H3

InChI Key

LPEFBGSLSJQKAH-UHFFFAOYSA-N

Formula

C20H28

SMILES

CCCCCCc1cccc2ccc(CCCC)cc12

Molecular Weight¹

268.44

CAS

55000-55-0

Other Names

• 7-Butyl-1-hexylnaphthalene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.14; 803.90]	J/mol×K	[712.82; 916.09]
Cp,gas	706.14	J/mol×K	712.82	Joback Calculated Property
Cp,gas	724.87	J/mol×K	746.70	Joback Calculated Property
Cp,gas	742.53	J/mol×K	780.58	Joback Calculated Property
Cp,gas	759.20	J/mol×K	814.45	Joback Calculated Property
Cp,gas	774.94	J/mol×K	848.33	Joback Calculated Property
Cp,gas	789.82	J/mol×K	882.21	Joback Calculated Property
Cp,gas	803.90	J/mol×K	916.09	Joback Calculated Property
η	[0.0001768; 0.0013226]	Pa×s	[399.32; 712.82]
η	0.0013226	Pa×s	399.32	Joback Calculated Property
η	0.0007790	Pa×s	451.57	Joback Calculated Property
η	0.0005120	Pa×s	503.82	Joback Calculated Property
η	0.0003642	Pa×s	556.07	Joback Calculated Property
η	0.0002746	Pa×s	608.32	Joback Calculated Property
η	0.0002166	Pa×s	660.57	Joback Calculated Property
η	0.0001768	Pa×s	712.82	Joback Calculated Property
ΔvapH	78.10	kJ/mol	449.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[480.64; 649.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.12368e+01
Coefficient B			-1.11831e+04
Coefficient C			5.31860e+01
Temperature range, min.			480.64
Temperature range, max.			649.04
Pvap	1.33	kPa	480.64	Calculated Property
Pvap	2.71	kPa	499.35	Calculated Property
Pvap	5.26	kPa	518.06	Calculated Property
Pvap	9.79	kPa	536.77	Calculated Property
Pvap	17.53	kPa	555.48	Calculated Property
Pvap	30.32	kPa	574.20	Calculated Property
Pvap	50.80	kPa	592.91	Calculated Property
Pvap	82.69	kPa	611.62	Calculated Property
Pvap	131.05	kPa	630.33	Calculated Property
Pvap	202.66	kPa	649.04	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 7-butyl-1-hexyl-.

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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