Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C16H27F3O4/c1-11(9-15(3,4)5)10-22-13(20)7-6-8-14(21)23-12(2)16(17,18)19/h11-12H,6-10H2,1-5H3

InChI Key

VYEYVFHAYPBWEX-UHFFFAOYSA-N

Formula

C16H27F3O4

SMILES

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

Molecular Weight¹

340.38

• 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	0.7610		Relay (1.0) Calculated Property
ΔfG°	-967.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1676.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.14	kJ/mol	Joback Calculated Property
ΔvapH°	72.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	4.266		Crippen Calculated Property
McVol	256.490	ml/mol	McGowan Calculated Property
Pc	1329.07	kPa	Joback Calculated Property
Inp	[1609.00; 1609.00]
Inp	1609.00		NIST
Inp	1609.00		NIST
Tboil	547.93	K	Relay (1.0) Calculated Property
Tc	685.05	K	Relay (1.0) Calculated Property
Tfus	287.28	K	Relay (1.0) Calculated Property
Vc	0.943	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.13; 845.58]	J/mol×K	[708.53; 885.31]
Cp,gas	762.13	J/mol×K	708.53	Joback Calculated Property
Cp,gas	778.19	J/mol×K	737.99	Joback Calculated Property
Cp,gas	793.34	J/mol×K	767.46	Joback Calculated Property
Cp,gas	807.62	J/mol×K	796.92	Joback Calculated Property
Cp,gas	821.06	J/mol×K	826.38	Joback Calculated Property
Cp,gas	833.71	J/mol×K	855.85	Joback Calculated Property
Cp,gas	845.58	J/mol×K	885.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,4-trimethylpentyl ester.

Sources

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

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