Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C14H12Cl3F3O4/c1-7(14(18,19)20)23-12(21)3-2-4-13(22)24-11-6-9(16)8(15)5-10(11)17/h5-7H,2-4H2,1H3

InChI Key

BBPGXQGSJUDJEN-UHFFFAOYSA-N

Formula

C14H12Cl3F3O4

SMILES

CC(OC(=O)CCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl)C(F)(F)F

Molecular Weight¹

407.60

• 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	0.8140		Relay (1.0) Calculated Property
ΔfG°	-937.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1439.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	93.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-5.46		Relay (1.0) Calculated Property
logPoct/wat	5.217		Crippen Calculated Property
McVol	241.270	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
Inp	[2132.00; 2132.00]
Inp	2132.00		NIST
Inp	2132.00		NIST
Tboil	589.65	K	Relay (1.0) Calculated Property
Tc	812.94	K	Relay (1.0) Calculated Property
Tfus	341.96	K	Relay (1.0) Calculated Property
Vc	0.865	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.96; 681.87]	J/mol×K	[820.35; 1029.25]
Cp,gas	634.96	J/mol×K	820.35	Joback Calculated Property
Cp,gas	644.84	J/mol×K	855.17	Joback Calculated Property
Cp,gas	653.87	J/mol×K	889.98	Joback Calculated Property
Cp,gas	662.06	J/mol×K	924.80	Joback Calculated Property
Cp,gas	669.44	J/mol×K	959.62	Joback Calculated Property
Cp,gas	676.04	J/mol×K	994.43	Joback Calculated Property
Cp,gas	681.87	J/mol×K	1029.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,5-trichlorophenyl ester.

Sources

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

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