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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.26	kJ/mol	Joback Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-2.22		Relay (1.0) Calculated Property
logPoct/wat	1.824		Crippen Calculated Property
McVol	191.710	ml/mol	McGowan Calculated Property
Inp	[1770.00; 1790.00]
Inp	1790.00		NIST
Inp	1790.00		NIST
Inp	1770.00		NIST
Inp	1790.00		NIST
Tboil	594.78	K	Relay (1.0) Calculated Property
Tfus	333.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.00; 589.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.54830e+01
Coefficient B			1.01814e+00
Coefficient C			-5.20560e-04
Coefficient D			6.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.00	J/mol×K	273.00	Calculated Property
Cp,gas	323.48	J/mol×K	353.78	Calculated Property
Cp,gas	375.09	J/mol×K	434.56	Calculated Property
Cp,gas	421.05	J/mol×K	515.33	Calculated Property
Cp,gas	461.56	J/mol×K	596.11	Calculated Property
Cp,gas	496.83	J/mol×K	676.89	Calculated Property
Cp,gas	527.07	J/mol×K	757.67	Calculated Property
Cp,gas	552.50	J/mol×K	838.44	Calculated Property
Cp,gas	573.33	J/mol×K	919.22	Calculated Property
Cp,gas	589.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Meclofenoxate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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