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

InChI

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

InChI Key

WAFVEFDMCAOHFQ-UHFFFAOYSA-N

Formula

C14H14ClF3O4

SMILES

CC(OC(=O)CCCC(=O)Oc1cccc(Cl)c1)C(F)(F)F

Molecular Weight¹

338.71

• 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°	-894.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1214.93	kJ/mol	Joback Calculated Property
ΔfusH°	33.74	kJ/mol	Joback Calculated Property
ΔvapH°	68.26	kJ/mol	Joback Calculated Property
log10WS	-4.62		Crippen 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	[1918.00; 1918.00]
Inp	1918.00		NIST
Inp	1918.00		NIST
Tboil	735.53	K	Joback Calculated Property
Tc	935.08	K	Joback Calculated Property
Tfus	449.91	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback 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 3-chlorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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