Chemical Properties of 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (CAS 59-98-3)

InChI

InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)

InChI Key

JIVZKJJQOZQXQB-UHFFFAOYSA-N

Formula

C10H12N2

SMILES

c1ccc(CC2=NCCN2)cc1

Molecular Weight¹

160.22

CAS

59-98-3

Other Names

• 2-Imidazoline, 2-benzyl-
• Artonil
• Benzazoline
• Benzidazol
• Benzolin
• Benzylimidazoline
• Dilatol ASI
• Divascol
• Imidalin
• Kasimid
• Lambril
• Olitensol
• Peripherine
• Phenylmethylimidazoline
• Prefaxil
• Priscol
• Priscoline
• Tolazolin
• Tolazoline
• Vasimid
• Vasodil
• Vasodilatan
• 2-Benzyl-2-imidazoline
• 2-Benzyl-4,5-imidazoline
• 2-Benzylimidazoline
• CIBA 3259
• Imidaline
• 4,5-Dihydro-2-(phenylmethyl)-1H-imidazole
• Benzolin (vasodilator)
• NSC 35110

• 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°	414.81	kJ/mol	Joback Calculated Property
ΔfH°gas	222.71	kJ/mol	Joback Calculated Property
ΔfusH°	24.12	kJ/mol	Joback Calculated Property
ΔvapH°	54.62	kJ/mol	Joback Calculated Property
IE	8.50	eV	NIST
log10WS	-1.85		Crippen Calculated Property
logPoct/wat	1.231		Crippen Calculated Property
McVol	132.800	ml/mol	McGowan Calculated Property
Pc	3970.51	kPa	Joback Calculated Property
Inp	[1465.00; 1510.00]
Inp	1477.00		NIST
Inp	1465.00		NIST
Inp	1474.00		NIST
Inp	1510.00		NIST
Inp	1471.00		NIST
Inp	1471.00		NIST
Inp	1490.00		NIST
Inp	1490.00		NIST
Inp	1510.00		NIST
Inp	1490.00		NIST
Inp	1510.00		NIST
Inp	1471.00		NIST
Inp	1477.00		NIST
Tboil	581.22	K	Joback Calculated Property
Tc	839.25	K	Joback Calculated Property
Tfus	433.87	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.16; 412.14]	J/mol×K	[581.22; 839.25]
Cp,gas	326.16	J/mol×K	581.22	Joback Calculated Property
Cp,gas	343.65	J/mol×K	624.22	Joback Calculated Property
Cp,gas	359.83	J/mol×K	667.23	Joback Calculated Property
Cp,gas	374.72	J/mol×K	710.23	Joback Calculated Property
Cp,gas	388.37	J/mol×K	753.24	Joback Calculated Property
Cp,gas	400.83	J/mol×K	796.24	Joback Calculated Property
Cp,gas	412.14	J/mol×K	839.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-.

Sources

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

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