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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.08	kJ/mol	Joback Calculated Property
IE	8.49	eV	NIST
logPoct/wat	3.145		Crippen Calculated Property
McVol	217.340	ml/mol	McGowan Calculated Property
Inp	[2110.00; 2130.00]
Inp	2110.00		NIST
Inp	2130.00		NIST
Inp	2110.00		NIST
Tfus	404.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.96; 746.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.76390e+01
Coefficient B			1.45508e+00
Coefficient C			-8.15680e-04
Coefficient D			1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.96	J/mol×K	273.00	Calculated Property
Cp,gas	371.91	J/mol×K	353.78	Calculated Property
Cp,gas	443.36	J/mol×K	434.56	Calculated Property
Cp,gas	506.81	J/mol×K	515.33	Calculated Property
Cp,gas	562.73	J/mol×K	596.11	Calculated Property
Cp,gas	611.63	J/mol×K	676.89	Calculated Property
Cp,gas	653.99	J/mol×K	757.67	Calculated Property
Cp,gas	690.31	J/mol×K	838.44	Calculated Property
Cp,gas	721.07	J/mol×K	919.22	Calculated Property
Cp,gas	746.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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