Chemical Properties of Mcpb methyl ester (CAS 57153-18-1)

InChI

InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3

InChI Key

FWDQLSHRVKQKBS-UHFFFAOYSA-N

Formula

C12H15ClO3

SMILES

COC(=O)CCCOc1ccc(Cl)cc1C

Molecular Weight¹

242.70

CAS

57153-18-1

Other Names

• Butanoic acid, 4-(2-methyl-4-chlorophenoxy)-, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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°	-207.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-470.18	kJ/mol	Joback Calculated Property
ΔfusH°	28.27	kJ/mol	Joback Calculated Property
ΔvapH°	61.86	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	2.980		Crippen Calculated Property
McVol	181.730	ml/mol	McGowan Calculated Property
Pc	2318.07	kPa	Joback Calculated Property
Inp	[1729.00; 1753.00]
Inp	1729.00		NIST
Inp	1729.00		NIST
Inp	1753.00		NIST
Inp	1740.00		NIST
I	[2420.00; 2421.00]
I	2420.00		NIST
I	2421.00		NIST
I	2420.00		NIST
Tboil	646.74	K	Joback Calculated Property
Tc	856.27	K	Joback Calculated Property
Tfus	400.77	K	Joback Calculated Property
Vc	0.691	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.69; 515.82]	J/mol×K	[646.74; 856.27]
Cp,gas	445.69	J/mol×K	646.74	Joback Calculated Property
Cp,gas	459.28	J/mol×K	681.66	Joback Calculated Property
Cp,gas	472.10	J/mol×K	716.58	Joback Calculated Property
Cp,gas	484.17	J/mol×K	751.50	Joback Calculated Property
Cp,gas	495.48	J/mol×K	786.42	Joback Calculated Property
Cp,gas	506.03	J/mol×K	821.35	Joback Calculated Property
Cp,gas	515.82	J/mol×K	856.27	Joback Calculated Property
η	[0.0001353; 0.0009316]	Pa×s	[400.77; 646.74]
η	0.0009316	Pa×s	400.77	Joback Calculated Property
η	0.0005819	Pa×s	441.76	Joback Calculated Property
η	0.0003936	Pa×s	482.76	Joback Calculated Property
η	0.0002831	Pa×s	523.75	Joback Calculated Property
η	0.0002136	Pa×s	564.75	Joback Calculated Property
η	0.0001674	Pa×s	605.75	Joback Calculated Property
η	0.0001353	Pa×s	646.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mcpb methyl ester.

Sources

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

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