Chemical Properties of Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester

InChI

InChI=1S/C18H12ClF5O4/c19-9-3-1-4-10(7-9)28-13(26)6-2-5-12(25)27-8-11-14(20)16(22)18(24)17(23)15(11)21/h1,3-4,7H,2,5-6,8H2

InChI Key

FULGMPMOTRLWGS-UHFFFAOYSA-N

Formula

C18H12ClF5O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

422.73

• 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	0.9079		Relay (1.0) Calculated Property
ΔfG°	-1186.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1349.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.29	kJ/mol	Joback Calculated Property
ΔvapH°	103.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	4.855		Crippen Calculated Property
McVol	252.930	ml/mol	McGowan Calculated Property
Pc	1545.13	kPa	Joback Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST
Tboil	646.33	K	Relay (1.0) Calculated Property
Tc	857.42	K	Relay (1.0) Calculated Property
Tfus	330.72	K	Relay (1.0) Calculated Property
Vc	0.923	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.72; 766.31]	J/mol×K	[880.84; 1087.81]
Cp,gas	720.72	J/mol×K	880.84	Joback Calculated Property
Cp,gas	730.81	J/mol×K	915.34	Joback Calculated Property
Cp,gas	739.90	J/mol×K	949.83	Joback Calculated Property
Cp,gas	747.99	J/mol×K	984.33	Joback Calculated Property
Cp,gas	755.08	J/mol×K	1018.82	Joback Calculated Property
Cp,gas	761.19	J/mol×K	1053.32	Joback Calculated Property
Cp,gas	766.31	J/mol×K	1087.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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