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

• 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	0.8055		Relay (1.0) Calculated Property
ΔfG°	-990.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1566.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.83	kJ/mol	Joback Calculated Property
ΔvapH°	71.61	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) 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	530.50	K	Relay (1.0) Calculated Property
Tc	677.91	K	Relay (1.0) Calculated Property
Tfus	265.46	K	Relay (1.0) Calculated Property
Vc	0.817	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.