Chemical Properties of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, methyl ester (CAS 55162-41-9)

InChI

InChI=1S/C11H13ClO3/c1-11(2,10(13)14-3)15-9-6-4-8(12)5-7-9/h4-7H,1-3H3

InChI Key

UXIVINXAZVEIMC-UHFFFAOYSA-N

Formula

C11H13ClO3

SMILES

COC(=O)C(C)(C)Oc1ccc(Cl)cc1

Molecular Weight¹

228.67

CAS

55162-41-9

Other Names

• CPIB methyl ester
• 2-(4-Chlorophenoxy)-2-methylpropanoic acid methyl ester
• Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, methyl ester
• Clofibrate Me

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfH°gas	-503.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.24	kJ/mol	Joback Calculated Property
ΔvapH°	76.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	2.670		Crippen Calculated Property
McVol	167.640	ml/mol	McGowan Calculated Property
Inp	[1472.00; 1474.00]
Inp	1473.00		NIST
Inp	1474.00		NIST
Inp	1472.00		NIST
I	[2025.00; 2026.00]
I	2025.00		NIST
I	2026.00		NIST
Tboil	532.69	K	Relay (1.0) Calculated Property
Tfus	294.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.94; 467.21]	J/mol×K	[597.78; 820.25]
Cp,gas	396.94	J/mol×K	597.78	Joback Calculated Property
Cp,gas	411.00	J/mol×K	634.86	Joback Calculated Property
Cp,gas	424.08	J/mol×K	671.94	Joback Calculated Property
Cp,gas	436.22	J/mol×K	709.02	Joback Calculated Property
Cp,gas	447.44	J/mol×K	746.10	Joback Calculated Property
Cp,gas	457.75	J/mol×K	783.17	Joback Calculated Property
Cp,gas	467.21	J/mol×K	820.25	Joback Calculated Property
η	[0.0001231; 0.0017867]	Pa×s	[349.57; 597.78]
η	0.0017867	Pa×s	349.57	Joback Calculated Property
η	0.0009036	Pa×s	390.94	Joback Calculated Property
η	0.0005207	Pa×s	432.31	Joback Calculated Property
η	0.0003304	Pa×s	473.67	Joback Calculated Property
η	0.0002255	Pa×s	515.04	Joback Calculated Property
η	0.0001629	Pa×s	556.41	Joback Calculated Property
η	0.0001231	Pa×s	597.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, methyl ester.

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.
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