Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C14H12F6O4/c1-7(14(18,19)20)23-10(21)3-2-4-11(22)24-9-6-5-8(15)12(16)13(9)17/h5-7H,2-4H2,1H3

InChI Key

ZLNAJZJIQGGMOT-UHFFFAOYSA-N

Formula

C14H12F6O4

SMILES

CC(OC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F)C(F)(F)F

Molecular Weight¹

358.23

• 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	0.7757		Relay (1.0) Calculated Property
ΔfG°	-1485.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1865.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.01	kJ/mol	Joback Calculated Property
ΔvapH°	79.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	209.860	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[1608.00; 1608.00]
Inp	1608.00		NIST
Inp	1608.00		NIST
Tboil	536.85	K	Relay (1.0) Calculated Property
Tc	715.89	K	Relay (1.0) Calculated Property
Tfus	306.27	K	Relay (1.0) Calculated Property
Vc	0.775	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.71; 647.85]	J/mol×K	[705.87; 885.06]
Cp,gas	588.71	J/mol×K	705.87	Joback Calculated Property
Cp,gas	600.30	J/mol×K	735.73	Joback Calculated Property
Cp,gas	611.17	J/mol×K	765.60	Joback Calculated Property
Cp,gas	621.35	J/mol×K	795.46	Joback Calculated Property
Cp,gas	630.85	J/mol×K	825.33	Joback Calculated Property
Cp,gas	639.68	J/mol×K	855.19	Joback Calculated Property
Cp,gas	647.85	J/mol×K	885.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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