Chemical Properties of Oxymetazoline (CAS 1491-59-4)

InChI

InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)

InChI Key

WYWIFABBXFUGLM-UHFFFAOYSA-N

Formula

C16H24N2O

SMILES

Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1

Molecular Weight¹

260.37

CAS

1491-59-4

Other Names

• Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-
• Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-
• Hazol
• Iliadin
• Nafrine
• Navisin
• Nezeril
• Oxylazine
• Oxymethazoline
• Oxymetozoline
• Sinerol
• Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-
• 6-t-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol
• 3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol
• 6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol
• H-990
• Navasin
• Rhinofrenol
• Rhinolitan
• 2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline

• 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°	284.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-121.60	kJ/mol	Joback Calculated Property
ΔfusH°	36.86	kJ/mol	Joback Calculated Property
ΔvapH°	81.68	kJ/mol	Joback Calculated Property
IE	8.36	eV	NIST
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	2.851		Crippen Calculated Property
McVol	223.210	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[2123.00; 2170.00]
Inp	2123.00		NIST
Inp	2170.00		NIST
Inp	2168.00		NIST
Inp	2168.00		NIST
Inp	2123.00		NIST
Tboil	810.83	K	Joback Calculated Property
Tc	1059.46	K	Joback Calculated Property
Tfus	653.19	K	Joback Calculated Property
Vc	0.792	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.39; 788.12]	J/mol×K	[810.83; 1059.46]
Cp,gas	697.39	J/mol×K	810.83	Joback Calculated Property
Cp,gas	714.98	J/mol×K	852.27	Joback Calculated Property
Cp,gas	731.42	J/mol×K	893.71	Joback Calculated Property
Cp,gas	746.83	J/mol×K	935.15	Joback Calculated Property
Cp,gas	761.34	J/mol×K	976.58	Joback Calculated Property
Cp,gas	775.06	J/mol×K	1018.02	Joback Calculated Property
Cp,gas	788.12	J/mol×K	1059.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxymetazoline.

Sources

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

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