Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C13H12Cl3FO4/c14-8-3-1-4-9(17)13(8)21-12(19)6-2-5-11(18)20-7-10(15)16/h1,3-4,10H,2,5-7H2

InChI Key

QNWGBIJXOYWTRX-UHFFFAOYSA-N

Formula

C13H12Cl3FO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCC(Cl)Cl

Molecular Weight¹

357.59

• 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).
• 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
ΔfG°	-549.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.27	kJ/mol	Joback Calculated Property
ΔfusH°	40.41	kJ/mol	Joback Calculated Property
ΔvapH°	78.39	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	3.902		Crippen Calculated Property
McVol	223.640	ml/mol	McGowan Calculated Property
Pc	2027.23	kPa	Joback Calculated Property
Inp	[2248.00; 2248.00]
Inp	2248.00		NIST
Inp	2248.00		NIST
Tboil	797.18	K	Joback Calculated Property
Tc	1012.12	K	Joback Calculated Property
Tfus	507.40	K	Joback Calculated Property
Vc	0.863	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.86; 614.80]	J/mol×K	[797.18; 1012.12]
Cp,gas	565.86	J/mol×K	797.18	Joback Calculated Property
Cp,gas	576.20	J/mol×K	833.00	Joback Calculated Property
Cp,gas	585.65	J/mol×K	868.83	Joback Calculated Property
Cp,gas	594.23	J/mol×K	904.65	Joback Calculated Property
Cp,gas	601.95	J/mol×K	940.47	Joback Calculated Property
Cp,gas	608.80	J/mol×K	976.30	Joback Calculated Property
Cp,gas	614.80	J/mol×K	1012.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester.

Sources

• 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.