Chemical Properties of Naphthalene, 1-(1,1-dimethylethyl)- (CAS 17085-91-5)

InChI

InChI=1S/C14H16/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3

InChI Key

SPLGZANLVHBDCC-UHFFFAOYSA-N

Formula

C14H16

SMILES

CC(C)(C)c1cccc2ccccc12

Molecular Weight¹

184.28

CAS

17085-91-5

Other Names

• 1-(1,1-Dimethylethyl)naphthalene
• 1-tert-Butylnaphthalene
• Naphthalene, 1-tert-butyl-
• «alpha»-tert-Butylnaphthalene

• 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	0.3997		Relay (1.0) Calculated Property
ΔfG°	279.27	kJ/mol	Joback Calculated Property
ΔfH°gas	47.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.27	kJ/mol	Joback Calculated Property
ΔvapH°	68.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	4.137		Crippen Calculated Property
McVol	164.900	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[1494.00; 1494.00]
Inp	1494.00		NIST
Inp	1494.00		NIST
Tboil	[551.00; 561.00]	K
Tboil	552.00 ± 4.00	K	NIST
Tboil	551.00 ± 6.00	K	NIST
Tboil	561.00 ± 5.00	K	NIST
Tc	787.18	K	Relay (1.0) Calculated Property
Tfus	267.25	K	Relay (1.0) Calculated Property
Vc	0.610	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.31; 530.72]	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			-8.53600e+01
Coefficient B			1.31756e+00
Coefficient C			-1.01048e-03
Coefficient D			3.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.31	J/mol×K	273.00	Calculated Property
Cp,gas	267.98	J/mol×K	353.78	Calculated Property
Cp,gas	321.73	J/mol×K	434.56	Calculated Property
Cp,gas	367.56	J/mol×K	515.33	Calculated Property
Cp,gas	406.43	J/mol×K	596.11	Calculated Property
Cp,gas	439.33	J/mol×K	676.89	Calculated Property
Cp,gas	467.23	J/mol×K	757.67	Calculated Property
Cp,gas	491.11	J/mol×K	838.44	Calculated Property
Cp,gas	511.95	J/mol×K	919.22	Calculated Property
Cp,gas	530.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020663; 0.0002607]	Pa×s	[321.60; 562.68]	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			-1.10135e+01
Coefficient B			1.55382e+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.			321.60
Temperature range, max.			562.68
η	0.0020663	Pa×s	321.60	Calculated Property
η	0.0014251	Pa×s	348.39	Calculated Property
η	0.0010365	Pa×s	375.17	Calculated Property
η	0.0007865	Pa×s	401.96	Calculated Property
η	0.0006177	Pa×s	428.75	Calculated Property
η	0.0004992	Pa×s	455.53	Calculated Property
η	0.0004130	Pa×s	482.32	Calculated Property
η	0.0003486	Pa×s	509.11	Calculated Property
η	0.0002993	Pa×s	535.89	Calculated Property
η	0.0002607	Pa×s	562.68	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[407.15; 587.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44311e+01
Coefficient B			-4.64199e+03
Coefficient C			-7.89430e+01
Temperature range, min.			407.15
Temperature range, max.			587.96
Pvap	1.33	kPa	407.15	Calculated Property
Pvap	3.01	kPa	427.24	Calculated Property
Pvap	6.24	kPa	447.33	Calculated Property
Pvap	11.96	kPa	467.42	Calculated Property
Pvap	21.53	kPa	487.51	Calculated Property
Pvap	36.67	kPa	507.60	Calculated Property
Pvap	59.55	kPa	527.69	Calculated Property
Pvap	92.76	kPa	547.78	Calculated Property
Pvap	139.33	kPa	567.87	Calculated Property
Pvap	202.67	kPa	587.96	Calculated Property

Similar Compounds

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

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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