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

InChI

InChI=1S/C13H21F3O4/c1-2-3-4-5-9-19-11(17)7-6-8-12(18)20-10-13(14,15)16/h2-10H2,1H3

InChI Key

NWJOVVPNUBUWCU-UHFFFAOYSA-N

Formula

C13H21F3O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCC(F)(F)F

Molecular Weight¹

298.30

• 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°	-990.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1398.33	kJ/mol	Joback Calculated Property
ΔfusH°	36.83	kJ/mol	Joback Calculated Property
ΔvapH°	59.10	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.386		Crippen Calculated Property
McVol	214.220	ml/mol	McGowan Calculated Property
Pc	1612.88	kPa	Joback Calculated Property
Inp	[1532.00; 1532.00]
Inp	1532.00		NIST
Inp	1532.00		NIST
Tboil	644.00	K	Joback Calculated Property
Tc	810.37	K	Joback Calculated Property
Tfus	384.78	K	Joback Calculated Property
Vc	0.855	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.15; 669.36]	J/mol×K	[644.00; 810.37]
Cp,gas	595.15	J/mol×K	644.00	Joback Calculated Property
Cp,gas	609.14	J/mol×K	671.73	Joback Calculated Property
Cp,gas	622.47	J/mol×K	699.46	Joback Calculated Property
Cp,gas	635.14	J/mol×K	727.19	Joback Calculated Property
Cp,gas	647.17	J/mol×K	754.92	Joback Calculated Property
Cp,gas	658.58	J/mol×K	782.65	Joback Calculated Property
Cp,gas	669.36	J/mol×K	810.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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