Chemical Properties of 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro- (CAS 526-36-3)

InChI

InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)

InChI Key

HUCJFAOMUPXHDK-UHFFFAOYSA-N

Formula

C16H24N2

SMILES

Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1

Molecular Weight¹

244.38

CAS

526-36-3

Other Names

• 2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-
• Ba-11391
• Otriven
• Otrivin
• Otrivine
• Otrix
• Xylometazoline
• Xylomethazoline
• 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline
• 2-[[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-1H-imidazole

• ω : Acentric Factor.
• 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
ω	0.5783		Relay (1.0) Calculated Property
ΔfG°	439.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.08	kJ/mol	Joback Calculated Property
ΔvapH°	86.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	NIST
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	3.145		Crippen Calculated Property
McVol	217.340	ml/mol	McGowan Calculated Property
Pc	2086.93	kPa	Joback Calculated Property
Inp	[2110.00; 2130.00]
Inp	2110.00		NIST
Inp	2130.00		NIST
Inp	2110.00		NIST
Tboil	604.33	K	Relay (1.0) Calculated Property
Tc	862.50	K	Relay (1.0) Calculated Property
Tfus	365.33	K	Relay (1.0) Calculated Property
Vc	0.790	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.30; 738.59]	J/mol×K	[730.21; 972.63]
Cp,gas	640.30	J/mol×K	730.21	Joback Calculated Property
Cp,gas	660.21	J/mol×K	770.61	Joback Calculated Property
Cp,gas	678.63	J/mol×K	811.02	Joback Calculated Property
Cp,gas	695.61	J/mol×K	851.42	Joback Calculated Property
Cp,gas	711.23	J/mol×K	891.82	Joback Calculated Property
Cp,gas	725.53	J/mol×K	932.23	Joback Calculated Property
Cp,gas	738.59	J/mol×K	972.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-.

Sources

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

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