Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C15H12Cl2F6O4/c16-8-3-1-4-9(12(8)17)27-11(25)6-2-5-10(24)26-7-14(19,20)13(18)15(21,22)23/h1,3-4,13H,2,5-7H2

InChI Key

KZTRKUWBOQTBTE-UHFFFAOYSA-N

Formula

C15H12Cl2F6O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

441.15

• 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	0.8470		Relay (... Calculated Property
ΔfG°	-1488.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1991.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.97	kJ/mol	Joback Calculated Property
ΔvapH°	92.71	kJ/mol	Relay (... Calculated Property
IE	9.20	eV	Relay (... Calculated Property
log10WS	-5.94		Relay (... Calculated Property
logPoct/wat	5.148		Crippen Calculated Property
McVol	248.430	ml/mol	McGowan Calculated Property
Pc	1522.31	kPa	Joback Calculated Property
Inp	[2100.00; 2100.00]
Inp	2100.00		NIST
Inp	2100.00		NIST
Tboil	600.80	K	Relay (... Calculated Property
Tc	795.28	K	Relay (... Calculated Property
Tfus	311.71	K	Relay (... Calculated Property
Vc	0.897	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.61; 743.97]	J/mol×K	[795.40; 989.09]
Cp,gas	693.61	J/mol×K	795.40	Joback Calculated Property
Cp,gas	703.91	J/mol×K	827.68	Joback Calculated Property
Cp,gas	713.40	J/mol×K	859.96	Joback Calculated Property
Cp,gas	722.10	J/mol×K	892.25	Joback Calculated Property
Cp,gas	730.07	J/mol×K	924.53	Joback Calculated Property
Cp,gas	737.34	J/mol×K	956.81	Joback Calculated Property
Cp,gas	743.97	J/mol×K	989.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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