Chemical Properties of 2-Azetidinone, 4-phenyl- (CAS 5661-55-2)

InChI

InChI=1S/C9H9NO/c11-9-6-8(10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)

InChI Key

MWKMQPSNTJCASD-UHFFFAOYSA-N

Formula

C9H9NO

SMILES

OC1=NC(c2ccccc2)C1

Molecular Weight¹

147.17

CAS

5661-55-2

Other Names

• Benzenepropanoic acid, «beta»-amino-, lactam
• 4-Phenyl-2-azetidinone

• 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	0.5146		Relay (1.0) Calculated Property
ΔfG°	186.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-28.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.20	kJ/mol	Joback Calculated Property
ΔvapH°	92.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	2.088		Crippen Calculated Property
McVol	114.600	ml/mol	McGowan Calculated Property
Pc	4553.06	kPa	Joback Calculated Property
Inp	[1254.00; 1254.00]
Inp	1254.00		NIST
Inp	1254.00		NIST
Tboil	519.60	K	Relay (1.0) Calculated Property
Tc	831.68	K	Relay (1.0) Calculated Property
Tfus	379.76	K	Relay (1.0) Calculated Property
Vc	0.413	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.26; 354.36]	J/mol×K	[593.03; 821.51]
Cp,gas	290.26	J/mol×K	593.03	Joback Calculated Property
Cp,gas	303.14	J/mol×K	631.11	Joback Calculated Property
Cp,gas	315.09	J/mol×K	669.19	Joback Calculated Property
Cp,gas	326.14	J/mol×K	707.27	Joback Calculated Property
Cp,gas	336.35	J/mol×K	745.35	Joback Calculated Property
Cp,gas	345.74	J/mol×K	783.43	Joback Calculated Property
Cp,gas	354.36	J/mol×K	821.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Azetidinone, 4-phenyl-.

Sources

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

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