Chemical Properties of Acifluorfen, tridecyl ester

InChI

InChI=1S/C27H33ClF3NO5/c1-2-3-4-5-6-7-8-9-10-11-12-17-36-26(33)22-19-21(14-15-24(22)32(34)35)37-25-16-13-20(18-23(25)28)27(29,30)31/h13-16,18-19H,2-12,17H2,1H3

InChI Key

LCCFAYQAVJTKPS-UHFFFAOYSA-N

Formula

C27H33ClF3NO5

SMILES

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

Molecular Weight¹

544.00

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.3176		Relay (1.0) Calculated Property
ΔfG°	-534.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1254.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.57	kJ/mol	Joback Calculated Property
ΔvapH°	135.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-9.71		Relay (1.0) Calculated Property
logPoct/wat	9.527		Crippen Calculated Property
McVol	392.050	ml/mol	McGowan Calculated Property
Pc	907.24	kPa	Joback Calculated Property
Inp	[2609.00; 2609.00]
Inp	2609.00		NIST
Inp	2609.00		NIST
Tboil	726.79	K	Relay (1.0) Calculated Property
Tc	1003.84	K	Relay (1.0) Calculated Property
Tfus	347.52	K	Relay (1.0) Calculated Property
Vc	1.430	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1326.00; 1374.05]	J/mol×K	[1173.00; 1442.27]
Cp,gas	1326.00	J/mol×K	1173.00	Joback Calculated Property
Cp,gas	1337.23	J/mol×K	1217.88	Joback Calculated Property
Cp,gas	1346.99	J/mol×K	1262.76	Joback Calculated Property
Cp,gas	1355.41	J/mol×K	1307.63	Joback Calculated Property
Cp,gas	1362.63	J/mol×K	1352.51	Joback Calculated Property
Cp,gas	1368.80	J/mol×K	1397.39	Joback Calculated Property
Cp,gas	1374.05	J/mol×K	1442.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, tridecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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