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

InChI

InChI=1S/C17H23ClO3/c1-12(17(19)20-2)14-8-9-16(15(18)10-14)21-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3

InChI Key

AIELJRVNUROGAJ-UHFFFAOYSA-N

Formula

C17H23ClO3

SMILES

COC(=O)C(C)c1ccc(OCC2CCCCC2)c(Cl)c1

Molecular Weight¹

310.82

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.6391		Relay (... Calculated Property
ΔfG°	-143.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-623.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.53	kJ/mol	Joback Calculated Property
ΔvapH°	88.20	kJ/mol	Relay (... Calculated Property
IE	8.14	eV	Relay (... Calculated Property
log10WS	-5.00		Relay (... Calculated Property
logPoct/wat	4.576		Crippen Calculated Property
McVol	241.320	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[2232.20; 2232.20]
Inp	2232.20		NIST
Inp	2232.20		NIST
Tboil	624.09	K	Relay (... Calculated Property
Tc	865.65	K	Relay (... Calculated Property
Tfus	322.86	K	Relay (... Calculated Property
Vc	0.857	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[707.93; 793.91]	J/mol×K	[780.25; 1008.24]
Cp,gas	707.93	J/mol×K	780.25	Joback Calculated Property
Cp,gas	725.79	J/mol×K	818.25	Joback Calculated Property
Cp,gas	742.21	J/mol×K	856.25	Joback Calculated Property
Cp,gas	757.21	J/mol×K	894.24	Joback Calculated Property
Cp,gas	770.82	J/mol×K	932.24	Joback Calculated Property
Cp,gas	783.04	J/mol×K	970.24	Joback Calculated Property
Cp,gas	793.91	J/mol×K	1008.24	Joback Calculated Property
η	[0.0000718; 0.0008875]	Pa×s	[449.50; 780.25]
η	0.0008875	Pa×s	449.50	Joback Calculated Property
η	0.0004643	Pa×s	504.62	Joback Calculated Property
η	0.0002760	Pa×s	559.75	Joback Calculated Property
η	0.0001801	Pa×s	614.88	Joback Calculated Property
η	0.0001260	Pa×s	670.00	Joback Calculated Property
η	0.0000931	Pa×s	725.12	Joback Calculated Property
η	0.0000718	Pa×s	780.25	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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