Chemical Properties of Naphthalene, 2-(1,1-dimethylethyl)-1,2,3,4-tetrahydro- (CAS 42044-22-4)

InChI

InChI=1S/C14H20/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3

InChI Key

FCXYHCYNCWKCOS-UHFFFAOYSA-N

Formula

C14H20

SMILES

CC(C)(C)C1CCc2ccccc2C1

Molecular Weight¹

188.31

CAS

42044-22-4

Other Names

• 2-tert-Butyl-1,2,3,4-Tetrahydronaphthalene
• 2-tert-Butyltetralin
• Naphthalene, 1,2,3,4-tetrahydro-2-(1,1-dimethylethyl)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ΔfH°gas	-20.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.29	kJ/mol	Joback Calculated Property
ΔvapH°	65.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
logPoct/wat	3.838		Crippen Calculated Property
McVol	173.500	ml/mol	McGowan Calculated Property
Pc	2329.27	kPa	Joback Calculated Property
Inp	[1475.00; 1475.00]
Inp	1475.00		NIST
Inp	1475.00		NIST
Tboil	543.65	K	Relay (1.0) Calculated Property
Tc	761.70	K	Relay (1.0) Calculated Property
Tfus	294.64	K	Relay (1.0) Calculated Property
Vc	0.613	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[432.97; 538.87]	J/mol×K	[559.16; 789.80]
Cp,gas	432.97	J/mol×K	559.16	Joback Calculated Property
Cp,gas	454.08	J/mol×K	597.60	Joback Calculated Property
Cp,gas	473.68	J/mol×K	636.04	Joback Calculated Property
Cp,gas	491.85	J/mol×K	674.48	Joback Calculated Property
Cp,gas	508.71	J/mol×K	712.92	Joback Calculated Property
Cp,gas	524.35	J/mol×K	751.36	Joback Calculated Property
Cp,gas	538.87	J/mol×K	789.80	Joback Calculated Property
η	[0.0002828; 0.0029253]	Pa×s	[303.32; 559.16]
η	0.0029253	Pa×s	303.32	Joback Calculated Property
η	0.0015589	Pa×s	345.96	Joback Calculated Property
η	0.0009538	Pa×s	388.60	Joback Calculated Property
η	0.0006432	Pa×s	431.24	Joback Calculated Property
η	0.0004655	Pa×s	473.88	Joback Calculated Property
η	0.0003554	Pa×s	516.52	Joback Calculated Property
η	0.0002828	Pa×s	559.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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