Chemical Properties of Naphthalene, 1-(2-methylpropyl)- (CAS 16727-91-6)

InChI

InChI=1S/C14H16/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11H,10H2,1-2H3

InChI Key

ZYFTVCJVNRKBCC-UHFFFAOYSA-N

Formula

C14H16

SMILES

CC(C)Cc1cccc2ccccc12

Molecular Weight¹

184.28

CAS

16727-91-6

Other Names

• Naphthalene, 1-isobutyl-
• «alpha»-Isobutylnaphthalene

• 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).
• 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	0.4678		Relay (1.0) Calculated Property
ΔfG°	273.99	kJ/mol	Joback Calculated Property
ΔfH°gas	42.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.16	kJ/mol	Joback Calculated Property
ΔvapH°	69.82	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.038		Crippen Calculated Property
McVol	164.900	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[1501.00; 1501.00]
Inp	1501.00		NIST
Inp	1501.00		NIST
Tboil	552.49 ± 0.30	K	NIST
Tc	784.85	K	Relay (1.0) Calculated Property
Tfus	[251.01; 263.78]	K
Tfus	263.78 ± 0.20	K	NIST
Tfus	251.01 ± 0.40	K	NIST
Vc	0.615	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.46; 529.79]	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			-6.25690e+01
Coefficient B			1.19764e+00
Coefficient C			-8.41880e-04
Coefficient D			2.36600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.46	J/mol×K	273.00	Calculated Property
Cp,gas	266.24	J/mol×K	353.78	Calculated Property
Cp,gas	318.31	J/mol×K	434.56	Calculated Property
Cp,gas	363.42	J/mol×K	515.33	Calculated Property
Cp,gas	402.32	J/mol×K	596.11	Calculated Property
Cp,gas	435.75	J/mol×K	676.89	Calculated Property
Cp,gas	464.46	J/mol×K	757.67	Calculated Property
Cp,gas	489.21	J/mol×K	838.44	Calculated Property
Cp,gas	510.74	J/mol×K	919.22	Calculated Property
Cp,gas	529.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046803; 0.0002768]	Pa×s	[257.39; 557.97]	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			-1.06135e+01
Coefficient B			1.35110e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			257.39
Temperature range, max.			557.97
η	0.0046803	Pa×s	257.39	Calculated Property
η	0.0025612	Pa×s	290.79	Calculated Property
η	0.0015870	Pa×s	324.19	Calculated Property
η	0.0010753	Pa×s	357.59	Calculated Property
η	0.0007787	Pa×s	390.99	Calculated Property
η	0.0005933	Pa×s	424.38	Calculated Property
η	0.0004703	Pa×s	457.78	Calculated Property
η	0.0003848	Pa×s	491.18	Calculated Property
η	0.0003230	Pa×s	524.58	Calculated Property
η	0.0002768	Pa×s	557.97	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-(2-methylpropyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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