Chemical Properties of Glutaric acid, 3-chlorophenyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C14H12ClF5O4/c15-9-3-1-4-10(7-9)24-12(22)6-2-5-11(21)23-8-13(16,17)14(18,19)20/h1,3-4,7H,2,5-6,8H2

InChI Key

GUKGAIMHNWUGCN-UHFFFAOYSA-N

Formula

C14H12ClF5O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC(F)(F)C(F)(F)F

Molecular Weight¹

374.69

• 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	0.7816		Relay (1.0) Calculated Property
ΔfG°	-1278.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1752.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.01	kJ/mol	Joback Calculated Property
ΔvapH°	84.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.157		Crippen Calculated Property
McVol	220.330	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	572.59	K	Relay (1.0) Calculated Property
Tc	731.41	K	Relay (1.0) Calculated Property
Tfus	297.15	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.17; 666.07]	J/mol×K	[731.28; 922.97]
Cp,gas	610.17	J/mol×K	731.28	Joback Calculated Property
Cp,gas	621.44	J/mol×K	763.23	Joback Calculated Property
Cp,gas	631.88	J/mol×K	795.18	Joback Calculated Property
Cp,gas	641.52	J/mol×K	827.12	Joback Calculated Property
Cp,gas	650.40	J/mol×K	859.07	Joback Calculated Property
Cp,gas	658.57	J/mol×K	891.02	Joback Calculated Property
Cp,gas	666.07	J/mol×K	922.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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