Chemical Properties of Acetamide, N-(p-hydroxy-«alpha»-methylphenethyl)-, acetate (ester) (CAS 25333-55-5)

InChI

InChI=1S/C13H17NO3/c1-9(14-10(2)15)8-12-4-6-13(7-5-12)17-11(3)16/h4-7,9H,8H2,1-3H3,(H,14,15)

InChI Key

UCJWNCIDYZVGLL-UHFFFAOYSA-N

Formula

C13H17NO3

SMILES

CC(=O)NC(C)Cc1ccc(OC(C)=O)cc1

Molecular Weight¹

235.28

CAS

25333-55-5

Other Names

• N,O-Diacetyl-4-hydroxyamphetamine
• 4-[2-(Acetylamino)propyl]phenyl acetate
• Fenproporex, (N-desalkyl-4-hydroxyl-), 2AC
• Fenproporex-M (N-desalkyl-4-HO-), 2AC

• 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°	-114.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-395.78	kJ/mol	Joback Calculated Property
ΔfusH°	29.04	kJ/mol	Joback Calculated Property
ΔvapH°	69.42	kJ/mol	Joback Calculated Property
log10WS	-2.92		Crippen Calculated Property
logPoct/wat	1.679		Crippen Calculated Property
McVol	189.260	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	708.39	K	Joback Calculated Property
Tc	922.53	K	Joback Calculated Property
Tfus	434.96	K	Joback Calculated Property
Vc	0.715	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.46; 584.64]	J/mol×K	[708.39; 922.53]
Cp,gas	514.46	J/mol×K	708.39	Joback Calculated Property
Cp,gas	528.43	J/mol×K	744.08	Joback Calculated Property
Cp,gas	541.47	J/mol×K	779.77	Joback Calculated Property
Cp,gas	553.59	J/mol×K	815.46	Joback Calculated Property
Cp,gas	564.81	J/mol×K	851.15	Joback Calculated Property
Cp,gas	575.15	J/mol×K	886.84	Joback Calculated Property
Cp,gas	584.64	J/mol×K	922.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-(p-hydroxy-«alpha»-methylphenethyl)-, acetate (ester).

Sources

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

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