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
• «alpha»-tert-Butylnaphthalene

• 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).
• 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
ΔfG°	279.27	kJ/mol	Joback Calculated Property
ΔfH°gas	75.09	kJ/mol	Joback Calculated Property
ΔfusH°	15.27	kJ/mol	Joback Calculated Property
ΔvapH°	50.04	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen 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	803.55	K	Joback Calculated Property
Tfus	321.60	K	Joback Calculated Property
Vc	0.623	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.23; 481.23]	J/mol×K	[567.13; 803.55]
Cp,gas	393.23	J/mol×K	567.13	Joback Calculated Property
Cp,gas	410.99	J/mol×K	606.53	Joback Calculated Property
Cp,gas	427.37	J/mol×K	645.94	Joback Calculated Property
Cp,gas	442.47	J/mol×K	685.34	Joback Calculated Property
Cp,gas	456.40	J/mol×K	724.74	Joback Calculated Property
Cp,gas	469.28	J/mol×K	764.14	Joback Calculated Property
Cp,gas	481.23	J/mol×K	803.55	Joback Calculated Property
η	[0.0002551; 0.0020663]	Pa×s	[321.60; 567.13]
η	0.0020663	Pa×s	321.60	Joback Calculated Property
η	0.0011977	Pa×s	362.52	Joback Calculated Property
η	0.0007754	Pa×s	403.44	Joback Calculated Property
η	0.0005439	Pa×s	444.37	Joback Calculated Property
η	0.0004050	Pa×s	485.29	Joback Calculated Property
η	0.0003157	Pa×s	526.21	Joback Calculated Property
η	0.0002551	Pa×s	567.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[407.15; 587.96]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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