Chemical Properties of Pemoline (CAS 2152-34-3)

InChI

InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)

InChI Key

NRNCYVBFPDDJNE-UHFFFAOYSA-N

Formula

C9H8N2O2

SMILES

NC1=NC(=O)C(c2ccccc2)O1

Molecular Weight¹

176.17

CAS

2152-34-3

Other Names

• 4(5H)-Oxazolone, 2-amino-5-phenyl-
• Azoksodon
• Azoxodon
• Azoxodone
• Centramin
• Dantromin
• Deltamin
• Hyton
• Kethamed
• LA 956
• Okodon
• Pemolin
• Pheniminooxazolidinone
• Phenoxazole
• Phenylisohydantoin
• Phenylpseudohydantoin
• Pioxol
• Pondex
• PIO
• Ronyl
• Sistra
• Stimul
• Stimulol
• Tradon
• Tradone
• Yh 1
• A 13397
• Abbott 13397
• Betanamin
• C- 293
• Constimol
• Cylert
• Deltamine
• Endolin
• Fenoxazol
• Fio
• Fwh-352
• H 310
• Juston-Wirkstoff
• Myamin
• Nitan
• NPL 1
• Phenalone
• Phenilone
• Pn/135
• Pomoline
• PT 360
• Sigmadyn
• Sistral
• Sofro
• Volital
• Volitol
• 2-Imino-5-phenyl-4-oxazolidinone
• 4-Oxazolidinone, 2-imino-5-phenyl-
• 5-Phenyl-2-imino-4-oxazolidinone
• 2-Amino-5-phenyl-4(5H)-oxazolone
• CS 293
• H 3104
• Notair
• Pemolina
• 5-Phenyl-2-imino-4-oxooxazolidine
• Hyton asa
• NSC-25159
• Senior
• 2-Imino-4-keto-5-phenyltetrahydrooxazole
• 2-Oxazolin-4-one, 2-amino-5-phenyl-

• 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).
• 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°	168.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-50.71	kJ/mol	Joback Calculated Property
ΔfusH°	25.70	kJ/mol	Joback Calculated Property
ΔvapH°	64.72	kJ/mol	Joback Calculated Property
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	0.599		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	4652.99	kPa	Joback Calculated Property
Inp	[2055.00; 2080.00]
Inp	2055.00		NIST
Inp	2080.00		NIST
Inp	2055.00		NIST
Tboil	672.42	K	Joback Calculated Property
Tc	949.61	K	Joback Calculated Property
Tfus	491.38	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.99; 416.62]	J/mol×K	[672.42; 949.61]
Cp,gas	348.99	J/mol×K	672.42	Joback Calculated Property
Cp,gas	363.77	J/mol×K	718.62	Joback Calculated Property
Cp,gas	377.17	J/mol×K	764.82	Joback Calculated Property
Cp,gas	389.17	J/mol×K	811.01	Joback Calculated Property
Cp,gas	399.76	J/mol×K	857.21	Joback Calculated Property
Cp,gas	408.92	J/mol×K	903.41	Joback Calculated Property
Cp,gas	416.62	J/mol×K	949.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pemoline.

Sources

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

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