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

InChI

InChI=1S/C15H21ClO3/c1-3-4-5-6-9-19-14-8-7-12(10-13(14)16)11-15(17)18-2/h7-8,10H,3-6,9,11H2,1-2H3

InChI Key

KXLBCBBKKRMVEX-UHFFFAOYSA-N

Formula

C15H21ClO3

SMILES

CCCCCCOc1ccc(CC(=O)OC)cc1Cl

Molecular Weight¹

284.78

• 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).
• 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

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 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	[316.68; 703.47]	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			4.77460e+01
Coefficient B			1.11974e+00
Coefficient C			-5.04120e-04
Coefficient D			4.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.68	J/mol×K	273.00	Calculated Property
Cp,gas	382.57	J/mol×K	353.78	Calculated Property
Cp,gas	442.43	J/mol×K	434.56	Calculated Property
Cp,gas	496.39	J/mol×K	515.33	Calculated Property
Cp,gas	544.59	J/mol×K	596.11	Calculated Property
Cp,gas	587.15	J/mol×K	676.89	Calculated Property
Cp,gas	624.18	J/mol×K	757.67	Calculated Property
Cp,gas	655.83	J/mol×K	838.44	Calculated Property
Cp,gas	682.22	J/mol×K	919.22	Calculated Property
Cp,gas	703.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009638; 0.0001238]	Pa×s	[404.75; 627.90]	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			-1.27183e+01
Coefficient B			2.33687e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			404.75
Temperature range, max.			627.90
η	0.0009638	Pa×s	404.75	Calculated Property
η	0.0006906	Pa×s	429.54	Calculated Property
η	0.0005132	Pa×s	454.34	Calculated Property
η	0.0003933	Pa×s	479.13	Calculated Property
η	0.0003094	Pa×s	503.93	Calculated Property
η	0.0002489	Pa×s	528.72	Calculated Property
η	0.0002042	Pa×s	553.52	Calculated Property
η	0.0001704	Pa×s	578.31	Calculated Property
η	0.0001443	Pa×s	603.11	Calculated Property
η	0.0001238	Pa×s	627.90	Calculated Property

Similar Compounds

Find more compounds similar to (3-Chloro-4-hexyloxy-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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