Chemical Properties of Glutaric acid, 8-chlorooctyl pentafluorobenzyl ester

InChI

InChI=1S/C20H24ClF5O4/c21-10-5-3-1-2-4-6-11-29-14(27)8-7-9-15(28)30-12-13-16(22)18(24)20(26)19(25)17(13)23/h1-12H2

InChI Key

IMOXNQYILXPNMR-UHFFFAOYSA-N

Formula

C20H24ClF5O4

SMILES

O=C(CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCCCCCCCCCl

Molecular Weight¹

458.85

• 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	1.0852		Relay (1.0) Calculated Property
ΔfG°	-1272.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1629.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.82	kJ/mol	Joback Calculated Property
ΔvapH°	108.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-7.49		Relay (1.0) Calculated Property
logPoct/wat	5.718		Crippen Calculated Property
McVol	304.870	ml/mol	McGowan Calculated Property
Pc	1073.57	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	638.28	K	Relay (1.0) Calculated Property
Tc	822.18	K	Relay (1.0) Calculated Property
Tfus	322.67	K	Relay (1.0) Calculated Property
Vc	1.133	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[937.44; 1001.83]	J/mol×K	[894.94; 1095.70]
Cp,gas	937.44	J/mol×K	894.94	Joback Calculated Property
Cp,gas	950.94	J/mol×K	928.40	Joback Calculated Property
Cp,gas	963.32	J/mol×K	961.86	Joback Calculated Property
Cp,gas	974.59	J/mol×K	995.32	Joback Calculated Property
Cp,gas	984.76	J/mol×K	1028.78	Joback Calculated Property
Cp,gas	993.84	J/mol×K	1062.24	Joback Calculated Property
Cp,gas	1001.83	J/mol×K	1095.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl pentafluorobenzyl ester.

Sources

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

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