Chemical Properties of 4-(Octyloxy)-3-chlorophenylacetic acid

InChI

InChI=1S/C16H23ClO3/c1-2-3-4-5-6-7-10-20-15-9-8-13(11-14(15)17)12-16(18)19/h8-9,11H,2-7,10,12H2,1H3,(H,18,19)

InChI Key

IHBVRZFITXXSHI-UHFFFAOYSA-N

Formula

C16H23ClO3

SMILES

CCCCCCCCOc1ccc(CC(=O)O)cc1Cl

Molecular Weight¹

298.81

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.99	kJ/mol	Joback Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	4.706		Crippen Calculated Property
McVol	238.090	ml/mol	McGowan Calculated Property
Inp	[2305.00; 2305.00]
Inp	2305.00		NIST
Inp	2305.00		NIST
Tfus	354.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[335.18; 757.73]	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			2.60280e+01
Coefficient B			1.32032e+00
Coefficient C			-7.25720e-04
Coefficient D			1.37100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.18	J/mol×K	273.00	Calculated Property
Cp,gas	408.37	J/mol×K	353.78	Calculated Property
Cp,gas	473.99	J/mol×K	434.56	Calculated Property
Cp,gas	532.47	J/mol×K	515.33	Calculated Property
Cp,gas	584.24	J/mol×K	596.11	Calculated Property
Cp,gas	629.75	J/mol×K	676.89	Calculated Property
Cp,gas	669.42	J/mol×K	757.67	Calculated Property
Cp,gas	703.68	J/mol×K	838.44	Calculated Property
Cp,gas	732.97	J/mol×K	919.22	Calculated Property
Cp,gas	757.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004522; 0.0001230]	Pa×s	[534.29; 710.03]	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			-1.29612e+01
Coefficient B			2.81025e+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.			534.29
Temperature range, max.			710.03
η	0.0004522	Pa×s	534.29	Calculated Property
η	0.0003756	Pa×s	553.82	Calculated Property
η	0.0003160	Pa×s	573.34	Calculated Property
η	0.0002689	Pa×s	592.87	Calculated Property
η	0.0002312	Pa×s	612.40	Calculated Property
η	0.0002006	Pa×s	631.92	Calculated Property
η	0.0001756	Pa×s	651.45	Calculated Property
η	0.0001549	Pa×s	670.98	Calculated Property
η	0.0001376	Pa×s	690.50	Calculated Property
η	0.0001230	Pa×s	710.03	Calculated Property

Similar Compounds

Find more compounds similar to 4-(Octyloxy)-3-chlorophenylacetic acid.

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.
These property values are available through the Cheméo API. A free account gives you an access key.