Chemical Properties of Meclofenoxate (CAS 51-68-3)

InChI

InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3

InChI Key

XZTYGFHCIAKPGJ-UHFFFAOYSA-N

Formula

C12H16ClNO3

SMILES

CN(C)CCOC(=O)COc1ccc(Cl)cc1

Molecular Weight¹

257.71

CAS

51-68-3

Other Names

• Acetic acid, (4-chlorophenoxy)-, 2-(dimethylamino)ethyl ester
• (p-Chlorophenoxy)acetic acid «beta»-(dimethylamino)ethyl ester
• (p-Chlorophenoxy)acetic acid 2-(dimethylamino)ethyl ester
• 2-(Dimethylamino)ethyl p-chlorophenoxyacetate
• 2-(Dimethylamino)ethyl-4-(chlorophenoxy)acetate
• Acephene
• Acetic acid, (p-chlorophenoxy)-, 2-(dimethylamino)ethyl ester
• Analux
• ANP 235
• Cerebon
• Cetrexin
• Clofenoxin
• Clophenoxate
• Deanol p-chlorophenoxyacetate
• Deanolestere
• EN 1627
• Licidril
• Meclofenoxane
• Meclophenoxate
• Mucidril
• Proseryl
• 2-(Dimethylamino)ethyl (p-chlorphenoxy)acetate
• Centrexin
• Clopenoxin
• Acephen
• Clocete
• NSC 169411

• 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°	-87.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.18	kJ/mol	Joback Calculated Property
ΔfusH°	31.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.24	kJ/mol	Joback Calculated Property
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	1.824		Crippen Calculated Property
McVol	191.710	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[1770.00; 1790.00]
Inp	1790.00		NIST
Inp	1790.00		NIST
Inp	1770.00		NIST
Tboil	654.20	K	Joback Calculated Property
Tc	860.18	K	Joback Calculated Property
Tfus	420.72	K	Joback Calculated Property
Vc	0.709	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.21; 556.37]	J/mol×K	[654.20; 860.18]
Cp,gas	484.21	J/mol×K	654.20	Joback Calculated Property
Cp,gas	498.32	J/mol×K	688.53	Joback Calculated Property
Cp,gas	511.57	J/mol×K	722.86	Joback Calculated Property
Cp,gas	523.99	J/mol×K	757.19	Joback Calculated Property
Cp,gas	535.59	J/mol×K	791.52	Joback Calculated Property
Cp,gas	546.38	J/mol×K	825.85	Joback Calculated Property
Cp,gas	556.37	J/mol×K	860.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Meclofenoxate.

Sources

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

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