Chemical Properties of Acetic acid, (2,4-dichlorophenoxy)-,2-octyl ester (CAS 1917-97-1)

InChI

InChI=1S/C16H22Cl2O3/c1-3-4-5-6-7-12(2)21-16(19)11-20-15-9-8-13(17)10-14(15)18/h8-10,12H,3-7,11H2,1-2H3

InChI Key

GJNVTNDAZUATRV-UHFFFAOYSA-N

Formula

C16H22Cl2O3

SMILES

CCCCCCC(C)OC(=O)COc1ccc(Cl)cc1Cl

Molecular Weight¹

333.25

CAS

1917-97-1

Other Names

• 2,4-Dichlorophenoxyacetic acid, (1-methylheptyl) ester

• 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 a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.98; 763.87]	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			5.80460e+01
Coefficient B			1.22744e+00
Coefficient C			-5.82120e-04
Coefficient D			6.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.98	J/mol×K	273.00	Calculated Property
Cp,gas	422.11	J/mol×K	353.78	Calculated Property
Cp,gas	486.47	J/mol×K	434.56	Calculated Property
Cp,gas	544.27	J/mol×K	515.33	Calculated Property
Cp,gas	595.70	J/mol×K	596.11	Calculated Property
Cp,gas	640.93	J/mol×K	676.89	Calculated Property
Cp,gas	680.18	J/mol×K	757.67	Calculated Property
Cp,gas	713.62	J/mol×K	838.44	Calculated Property
Cp,gas	741.45	J/mol×K	919.22	Calculated Property
Cp,gas	763.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008574; 0.0000946]	Pa×s	[430.94; 673.20]	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			-1.31881e+01
Coefficient B			2.64017e+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.			430.94
Temperature range, max.			673.20
η	0.0008574	Pa×s	430.94	Calculated Property
η	0.0005981	Pa×s	457.86	Calculated Property
η	0.0004342	Pa×s	484.78	Calculated Property
η	0.0003261	Pa×s	511.69	Calculated Property
η	0.0002519	Pa×s	538.61	Calculated Property
η	0.0001995	Pa×s	565.53	Calculated Property
η	0.0001614	Pa×s	592.45	Calculated Property
η	0.0001330	Pa×s	619.36	Calculated Property
η	0.0001113	Pa×s	646.28	Calculated Property
η	0.0000946	Pa×s	673.20	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (2,4-dichlorophenoxy)-,2-octyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.