Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 8-chlorooctyl ester

InChI

InChI=1S/C16H26ClF3O4/c1-13(16(18,19)20)24-15(22)10-8-9-14(21)23-12-7-5-3-2-4-6-11-17/h13H,2-12H2,1H3

InChI Key

FPMVLQWQZLNSLY-UHFFFAOYSA-N

Formula

C16H26ClF3O4

SMILES

CC(OC(=O)CCCC(=O)OCCCCCCCCCl)C(F)(F)F

Molecular Weight¹

374.82

• 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	0.9200		Relay (1.0) Calculated Property
ΔfG°	-979.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1654.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.27	kJ/mol	Joback Calculated Property
ΔvapH°	90.09	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	4.773		Crippen Calculated Property
McVol	268.730	ml/mol	McGowan Calculated Property
Pc	1269.16	kPa	Joback Calculated Property
Inp	[2043.00; 2043.00]
Inp	2043.00		NIST
Inp	2043.00		NIST
Tboil	577.52	K	Relay (1.0) Calculated Property
Tc	736.02	K	Relay (1.0) Calculated Property
Tfus	288.47	K	Relay (1.0) Calculated Property
Vc	0.998	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.22; 867.01]	J/mol×K	[749.63; 925.75]
Cp,gas	790.22	J/mol×K	749.63	Joback Calculated Property
Cp,gas	805.03	J/mol×K	778.98	Joback Calculated Property
Cp,gas	819.01	J/mol×K	808.34	Joback Calculated Property
Cp,gas	832.17	J/mol×K	837.69	Joback Calculated Property
Cp,gas	844.54	J/mol×K	867.05	Joback Calculated Property
Cp,gas	856.15	J/mol×K	896.40	Joback Calculated Property
Cp,gas	867.01	J/mol×K	925.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 8-chlorooctyl ester.

Sources

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

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