Chemical Properties of Glutaric acid, decyl 2,2,2-triluoroethyl ester

InChI

InChI=1S/C17H29F3O4/c1-2-3-4-5-6-7-8-9-13-23-15(21)11-10-12-16(22)24-14-17(18,19)20/h2-14H2,1H3

InChI Key

GGYUXSNBJHTZBV-UHFFFAOYSA-N

Formula

C17H29F3O4

SMILES

CCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

354.40

• 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	0.9505		Relay (1.0) Calculated Property
ΔfG°	-957.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1643.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.19	kJ/mol	Joback Calculated Property
ΔvapH°	87.01	kJ/mol	Relay (1.0) Calculated Property
IE	10.08	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.946		Crippen Calculated Property
McVol	270.580	ml/mol	McGowan Calculated Property
Pc	1210.67	kPa	Joback Calculated Property
Inp	[1918.00; 1918.00]
Inp	1918.00		NIST
Inp	1918.00		NIST
Tboil	578.58	K	Relay (1.0) Calculated Property
Tc	724.38	K	Relay (1.0) Calculated Property
Tfus	287.43	K	Relay (1.0) Calculated Property
Vc	1.035	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.91; 899.64]	J/mol×K	[735.52; 906.41]
Cp,gas	815.91	J/mol×K	735.52	Joback Calculated Property
Cp,gas	831.88	J/mol×K	764.00	Joback Calculated Property
Cp,gas	847.01	J/mol×K	792.48	Joback Calculated Property
Cp,gas	861.34	J/mol×K	820.97	Joback Calculated Property
Cp,gas	874.87	J/mol×K	849.45	Joback Calculated Property
Cp,gas	887.63	J/mol×K	877.93	Joback Calculated Property
Cp,gas	899.64	J/mol×K	906.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, decyl 2,2,2-triluoroethyl ester.

Sources

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

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