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

InChI

InChI=1S/C16H27F3O4/c1-2-3-4-5-6-7-8-12-22-14(20)10-9-11-15(21)23-13-16(17,18)19/h2-13H2,1H3

InChI Key

AAQTYANFWTTWPP-UHFFFAOYSA-N

Formula

C16H27F3O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

340.38

• 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°	-965.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1460.25	kJ/mol	Joback Calculated Property
ΔfusH°	44.60	kJ/mol	Joback Calculated Property
ΔvapH°	65.78	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	4.556		Crippen Calculated Property
McVol	256.490	ml/mol	McGowan Calculated Property
Pc	1295.79	kPa	Joback Calculated Property
Inp	[1821.00; 1821.00]
Inp	1821.00		NIST
Inp	1821.00		NIST
Tboil	712.64	K	Joback Calculated Property
Tc	881.61	K	Joback Calculated Property
Tfus	418.59	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.99; 840.50]	J/mol×K	[712.64; 881.61]
Cp,gas	758.99	J/mol×K	712.64	Joback Calculated Property
Cp,gas	774.48	J/mol×K	740.80	Joback Calculated Property
Cp,gas	789.19	J/mol×K	768.96	Joback Calculated Property
Cp,gas	803.12	J/mol×K	797.12	Joback Calculated Property
Cp,gas	816.31	J/mol×K	825.28	Joback Calculated Property
Cp,gas	828.76	J/mol×K	853.45	Joback Calculated Property
Cp,gas	840.50	J/mol×K	881.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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