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

InChI

InChI=1S/C17H18O3/c1-13(17(18)19-2)15-8-10-16(11-9-15)20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3

InChI Key

NYJKRTRWIXNPDP-UHFFFAOYSA-N

Formula

C17H18O3

SMILES

COC(=O)C(C)c1ccc(OCc2ccccc2)cc1

Molecular Weight¹

270.32

• 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°	-33.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.92	kJ/mol	Joback Calculated Property
ΔfusH°	27.93	kJ/mol	Joback Calculated Property
ΔvapH°	69.83	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	3.542		Crippen Calculated Property
McVol	216.180	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[2078.50; 2078.50]
Inp	2078.50		NIST
Inp	2078.50		NIST
Tboil	744.97	K	Joback Calculated Property
Tc	975.62	K	Joback Calculated Property
Tfus	426.10	K	Joback Calculated Property
Vc	0.807	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.97; 677.03]	J/mol×K	[744.97; 975.62]
Cp,gas	598.97	J/mol×K	744.97	Joback Calculated Property
Cp,gas	615.03	J/mol×K	783.41	Joback Calculated Property
Cp,gas	629.83	J/mol×K	821.85	Joback Calculated Property
Cp,gas	643.39	J/mol×K	860.30	Joback Calculated Property
Cp,gas	655.76	J/mol×K	898.74	Joback Calculated Property
Cp,gas	666.96	J/mol×K	937.18	Joback Calculated Property
Cp,gas	677.03	J/mol×K	975.62	Joback Calculated Property
η	[0.0000778; 0.0009165]	Pa×s	[426.10; 744.97]
η	0.0009165	Pa×s	426.10	Joback Calculated Property
η	0.0004838	Pa×s	479.25	Joback Calculated Property
η	0.0002901	Pa×s	532.39	Joback Calculated Property
η	0.0001909	Pa×s	585.54	Joback Calculated Property
η	0.0001347	Pa×s	638.68	Joback Calculated Property
η	0.0001002	Pa×s	691.83	Joback Calculated Property
η	0.0000778	Pa×s	744.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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