Chemical Properties of Tetrahydrozoline (CAS 84-22-0)

InChI

InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

InChI Key

BYJAVTDNIXVSPW-UHFFFAOYSA-N

Formula

C13H16N2

SMILES

c1ccc2c(c1)CCCC2C1=NCCN1

Molecular Weight¹

200.28

CAS

84-22-0

Other Names

• 1H-Imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-
• 2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)-
• Tetryzolin
• Tetryzoline
• Tyzanol
• 2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline
• 2-(1,2,3,4-Tetrahydro-1-naphthalenyl)-4,5-dihydro-1H-imidazole

• 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).
• 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
ΔfG°	479.09	kJ/mol	Joback Calculated Property
ΔfH°gas	215.96	kJ/mol	Joback Calculated Property
ΔfusH°	27.54	kJ/mol	Joback Calculated Property
ΔvapH°	62.04	kJ/mol	Joback Calculated Property
IE	8.33	eV	NIST
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.108		Crippen Calculated Property
McVol	164.210	ml/mol	McGowan Calculated Property
Pc	3322.01	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	665.85	K	Joback Calculated Property
Tc	934.64	K	Joback Calculated Property
Tfus	494.62	K	Joback Calculated Property
Vc	0.619	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.76; 561.99]	J/mol×K	[665.85; 934.64]
Cp,gas	463.76	J/mol×K	665.85	Joback Calculated Property
Cp,gas	484.18	J/mol×K	710.65	Joback Calculated Property
Cp,gas	502.86	J/mol×K	755.45	Joback Calculated Property
Cp,gas	519.89	J/mol×K	800.25	Joback Calculated Property
Cp,gas	535.37	J/mol×K	845.04	Joback Calculated Property
Cp,gas	549.37	J/mol×K	889.84	Joback Calculated Property
Cp,gas	561.99	J/mol×K	934.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrozoline.

Sources

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

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