Chemical Properties of 3-(3-Chloro-4-benzyloxy-phenyl)-2-methyl-propionic acid, methyl ester

InChI

InChI=1S/C18H19ClO3/c1-13(18(20)21-2)10-15-8-9-17(16(19)11-15)22-12-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3

InChI Key

XZSMKHFZBVXMAF-UHFFFAOYSA-N

Formula

C18H19ClO3

SMILES

COC(=O)C(C)Cc1ccc(OCc2ccccc2)c(Cl)c1

Molecular Weight¹

318.80

• 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.
• 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°	-47.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-362.77	kJ/mol	Joback Calculated Property
ΔfusH°	34.33	kJ/mol	Joback Calculated Property
ΔvapH°	77.10	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	242.510	ml/mol	McGowan Calculated Property
Pc	1867.55	kPa	Joback Calculated Property
Inp	[2328.00; 2328.00]
Inp	2328.00		NIST
Inp	2328.00		NIST
Tboil	810.26	K	Joback Calculated Property
Tc	1040.52	K	Joback Calculated Property
Tfus	479.81	K	Joback Calculated Property
Vc	0.912	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.83; 748.94]	J/mol×K	[810.26; 1040.52]
Cp,gas	678.83	J/mol×K	810.26	Joback Calculated Property
Cp,gas	693.55	J/mol×K	848.64	Joback Calculated Property
Cp,gas	707.02	J/mol×K	887.01	Joback Calculated Property
Cp,gas	719.26	J/mol×K	925.39	Joback Calculated Property
Cp,gas	730.30	J/mol×K	963.77	Joback Calculated Property
Cp,gas	740.18	J/mol×K	1002.15	Joback Calculated Property
Cp,gas	748.94	J/mol×K	1040.52	Joback Calculated Property
η	[0.0000615; 0.0005947]	Pa×s	[479.81; 810.26]
η	0.0005947	Pa×s	479.81	Joback Calculated Property
η	0.0003354	Pa×s	534.88	Joback Calculated Property
η	0.0002105	Pa×s	589.96	Joback Calculated Property
η	0.0001430	Pa×s	645.04	Joback Calculated Property
η	0.0001033	Pa×s	700.11	Joback Calculated Property
η	0.0000782	Pa×s	755.18	Joback Calculated Property
η	0.0000615	Pa×s	810.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-Chloro-4-benzyloxy-phenyl)-2-methyl-propionic acid, methyl ester.

Sources

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

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