Chemical Properties of (3-Chloro-4-cyclohexyloxy-phenyl)-acetic acid, methyl ester

InChI

InChI=1S/C15H19ClO3/c1-18-15(17)10-11-7-8-14(13(16)9-11)19-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3

InChI Key

SLHLLQIFSNCBSX-UHFFFAOYSA-N

Formula

C15H19ClO3

SMILES

COC(=O)Cc1ccc(OC2CCCCC2)c(Cl)c1

Molecular Weight¹

282.76

• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.56; 688.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.78590e+01
Coefficient B			1.24182e+00
Coefficient C			-5.85120e-04
Coefficient D			4.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.56	J/mol×K	273.00	Calculated Property
Cp,gas	350.44	J/mol×K	353.78	Calculated Property
Cp,gas	415.37	J/mol×K	434.56	Calculated Property
Cp,gas	473.50	J/mol×K	515.33	Calculated Property
Cp,gas	525.01	J/mol×K	596.11	Calculated Property
Cp,gas	570.04	J/mol×K	676.89	Calculated Property
Cp,gas	608.75	J/mol×K	757.67	Calculated Property
Cp,gas	641.30	J/mol×K	838.44	Calculated Property
Cp,gas	667.84	J/mol×K	919.22	Calculated Property
Cp,gas	688.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011378; 0.0001188]	Pa×s	[412.13; 663.00]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27504e+01
Coefficient B			2.46114e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			412.13
Temperature range, max.			663.00
η	0.0011378	Pa×s	412.13	Calculated Property
η	0.0007794	Pa×s	440.00	Calculated Property
η	0.0005585	Pa×s	467.88	Calculated Property
η	0.0004155	Pa×s	495.75	Calculated Property
η	0.0003190	Pa×s	523.63	Calculated Property
η	0.0002516	Pa×s	551.50	Calculated Property
η	0.0002030	Pa×s	579.38	Calculated Property
η	0.0001670	Pa×s	607.25	Calculated Property
η	0.0001398	Pa×s	635.13	Calculated Property
η	0.0001188	Pa×s	663.00	Calculated Property

Similar Compounds

Find more compounds similar to (3-Chloro-4-cyclohexyloxy-phenyl)-acetic 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

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