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_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.
• 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
ΔfusH°	29.51	kJ/mol	Joback Calculated Property
ΔvapH°	89.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	3.542		Crippen Calculated Property
McVol	216.180	ml/mol	McGowan Calculated Property
Inp	[2078.50; 2078.50]
Inp	2078.50		NIST
Inp	2078.50		NIST
Tboil	615.78	K	Relay (1.0) Calculated Property
Tfus	323.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[594.11; 673.22]	J/mol×K	[727.10; 956.15]
Cp,gas	594.11	J/mol×K	727.10	Joback Calculated Property
Cp,gas	610.48	J/mol×K	765.27	Joback Calculated Property
Cp,gas	625.53	J/mol×K	803.45	Joback Calculated Property
Cp,gas	639.30	J/mol×K	841.62	Joback Calculated Property
Cp,gas	651.81	J/mol×K	879.80	Joback Calculated Property
Cp,gas	663.11	J/mol×K	917.97	Joback Calculated Property
Cp,gas	673.22	J/mol×K	956.15	Joback Calculated Property
η	[0.0000691; 0.0011860]	Pa×s	[396.27; 727.10]
η	0.0011860	Pa×s	396.27	Joback Calculated Property
η	0.0005528	Pa×s	451.41	Joback Calculated Property
η	0.0003043	Pa×s	506.55	Joback Calculated Property
η	0.0001883	Pa×s	561.68	Joback Calculated Property
η	0.0001270	Pa×s	616.82	Joback Calculated Property
η	0.0000913	Pa×s	671.96	Joback Calculated Property
η	0.0000691	Pa×s	727.10	Joback Calculated Property

Similar Compounds

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