Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester

InChI

InChI=1S/C14H14ClF3O4/c1-9(14(16,17)18)21-12(19)7-4-8-13(20)22-11-6-3-2-5-10(11)15/h2-3,5-6,9H,4,7-8H2,1H3

InChI Key

CANRIWLSFABURK-UHFFFAOYSA-N

Formula

C14H14ClF3O4

SMILES

CC(OC(=O)CCCC(=O)Oc1ccccc1Cl)C(F)(F)F

Molecular Weight¹

338.71

• 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	0.7428		Relay (1.0) Calculated Property
ΔfG°	-894.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1384.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.74	kJ/mol	Joback Calculated Property
ΔvapH°	82.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.910		Crippen Calculated Property
McVol	216.790	ml/mol	McGowan Calculated Property
Pc	1892.00	kPa	Joback Calculated Property
Inp	[1786.00; 1786.00]
Inp	1786.00		NIST
Inp	1786.00		NIST
Tboil	560.90	K	Relay (1.0) Calculated Property
Tc	761.79	K	Relay (1.0) Calculated Property
Tfus	312.13	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.49; 652.94]	J/mol×K	[735.53; 935.08]
Cp,gas	592.49	J/mol×K	735.53	Joback Calculated Property
Cp,gas	604.67	J/mol×K	768.79	Joback Calculated Property
Cp,gas	615.97	J/mol×K	802.05	Joback Calculated Property
Cp,gas	626.42	J/mol×K	835.30	Joback Calculated Property
Cp,gas	636.05	J/mol×K	868.56	Joback Calculated Property
Cp,gas	644.88	J/mol×K	901.82	Joback Calculated Property
Cp,gas	652.94	J/mol×K	935.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-chlorophenyl ester.

Sources

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

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