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

• 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	0.6852		Relay (... Calculated Property
ΔfG°	-114.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.24	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.04	kJ/mol	Joback Calculated Property
ΔvapH°	89.56	kJ/mol	Relay (... Calculated Property
IE	8.23	eV	Relay (... Calculated Property
log10WS	-2.12		Relay (... 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	586.99	K	Relay (... Calculated Property
Tc	801.73	K	Relay (... Calculated Property
Tfus	347.63	K	Relay (... Calculated Property
Vc	0.678	m3/kmol	Relay (... 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.