Chemical Properties of Acifluorfen, undecyl ester

InChI

InChI=1S/C25H29ClF3NO5/c1-2-3-4-5-6-7-8-9-10-15-34-24(31)20-17-19(12-13-22(20)30(32)33)35-23-14-11-18(16-21(23)26)25(27,28)29/h11-14,16-17H,2-10,15H2,1H3

InChI Key

QCBMFQQJCBVDDB-UHFFFAOYSA-N

Formula

C25H29ClF3NO5

SMILES

CCCCCCCCCCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

515.96

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	69.97	kJ/mol	Joback Calculated Property
log10WS	-9.17		Relay (1.0) Calculated Property
logPoct/wat	8.747		Crippen Calculated Property
McVol	363.870	ml/mol	McGowan Calculated Property
Inp	[3517.00; 3517.00]
Inp	3517.00		NIST
Inp	3517.00		NIST
Tfus	338.64	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	[526.97; 1163.68]	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			3.26400e+01
Coefficient B			2.13238e+00
Coefficient C			-1.24464e-03
Coefficient D			2.43300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	526.97	J/mol×K	273.00	Calculated Property
Cp,gas	642.02	J/mol×K	353.78	Calculated Property
Cp,gas	744.21	J/mol×K	434.56	Calculated Property
Cp,gas	834.29	J/mol×K	515.33	Calculated Property
Cp,gas	913.03	J/mol×K	596.11	Calculated Property
Cp,gas	981.21	J/mol×K	676.89	Calculated Property
Cp,gas	1039.60	J/mol×K	757.67	Calculated Property
Cp,gas	1088.96	J/mol×K	838.44	Calculated Property
Cp,gas	1130.06	J/mol×K	919.22	Calculated Property
Cp,gas	1163.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, undecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.