Chemical Properties of Glutaric acid, 3-chlorophenyl pentafluorophenyl ester

InChI

InChI=1S/C17H10ClF5O4/c18-8-3-1-4-9(7-8)26-10(24)5-2-6-11(25)27-17-15(22)13(20)12(19)14(21)16(17)23/h1,3-4,7H,2,5-6H2

InChI Key

CRTXKBDYNKRLNN-UHFFFAOYSA-N

Formula

C17H10ClF5O4

SMILES

O=C(CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1cccc(Cl)c1

Molecular Weight¹

408.70

• 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°	-1194.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1475.86	kJ/mol	Joback Calculated Property
ΔfusH°	50.70	kJ/mol	Joback Calculated Property
ΔvapH°	80.57	kJ/mol	Joback Calculated Property
log10WS	-6.51		Crippen Calculated Property
logPoct/wat	4.717		Crippen Calculated Property
McVol	238.840	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2232.00; 2232.00]
Inp	2232.00		NIST
Inp	2232.00		NIST
Tboil	857.96	K	Joback Calculated Property
Tc	1064.21	K	Joback Calculated Property
Tfus	586.50	K	Joback Calculated Property
Vc	0.959	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.41; 709.99]	J/mol×K	[857.96; 1064.21]
Cp,gas	665.41	J/mol×K	857.96	Joback Calculated Property
Cp,gas	675.19	J/mol×K	892.33	Joback Calculated Property
Cp,gas	684.03	J/mol×K	926.71	Joback Calculated Property
Cp,gas	691.93	J/mol×K	961.08	Joback Calculated Property
Cp,gas	698.89	J/mol×K	995.46	Joback Calculated Property
Cp,gas	704.91	J/mol×K	1029.83	Joback Calculated Property
Cp,gas	709.99	J/mol×K	1064.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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