Chemical Properties of 1,1,5,6-Tetramethyl-1,2,3,4-tetrahydronaphthalene (CAS 31197-54-3)

InChI

InChI=1S/C14H20/c1-10-7-8-13-12(11(10)2)6-5-9-14(13,3)4/h7-8H,5-6,9H2,1-4H3

InChI Key

FXJRXZWVNPHANR-UHFFFAOYSA-N

Formula

C14H20

SMILES

Cc1ccc2c(c1C)CCCC2(C)C

Molecular Weight¹

188.31

CAS

31197-54-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I : 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°	193.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-48.29	kJ/mol	Joback Calculated Property
ΔfusH°	14.63	kJ/mol	Joback Calculated Property
ΔvapH°	49.95	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	3.917		Crippen Calculated Property
McVol	173.500	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Inp	[1501.00; 1522.60]
Inp	1522.60		NIST
Inp	1510.00		NIST
Inp	1501.00		NIST
Inp	1510.00		NIST
I	1925.00		NIST
Tboil	572.59	K	Joback Calculated Property
Tc	800.28	K	Joback Calculated Property
Tfus	349.84	K	Joback Calculated Property
Vc	0.658	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.35; 528.59]	J/mol×K	[572.59; 800.28]
Cp,gas	429.35	J/mol×K	572.59	Joback Calculated Property
Cp,gas	448.30	J/mol×K	610.54	Joback Calculated Property
Cp,gas	466.08	J/mol×K	648.49	Joback Calculated Property
Cp,gas	482.85	J/mol×K	686.43	Joback Calculated Property
Cp,gas	498.75	J/mol×K	724.38	Joback Calculated Property
Cp,gas	513.95	J/mol×K	762.33	Joback Calculated Property
Cp,gas	528.59	J/mol×K	800.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1,5,6-Tetramethyl-1,2,3,4-tetrahydronaphthalene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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