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

InChI

InChI=1S/C16H27F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h12-13H,4-11H2,1-3H3

InChI Key

VRNHYFRBKGVSQQ-UHFFFAOYSA-N

Formula

C16H27F3O4

SMILES

CCCCCCC(C)OC(=O)CCCC(=O)OC(C)C(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°	-970.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1470.81	kJ/mol	Joback Calculated Property
ΔfusH°	37.55	kJ/mol	Joback Calculated Property
ΔvapH°	65.00	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	4.553		Crippen Calculated Property
McVol	256.490	ml/mol	McGowan Calculated Property
Pc	1310.85	kPa	Joback Calculated Property
Inp	[1686.00; 1686.00]
Inp	1686.00		NIST
Inp	1686.00		NIST
Tboil	711.76	K	Joback Calculated Property
Tc	883.69	K	Joback Calculated Property
Tfus	388.59	K	Joback Calculated Property
Vc	1.010	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.95; 842.76]	J/mol×K	[711.76; 883.69]
Cp,gas	759.95	J/mol×K	711.76	Joback Calculated Property
Cp,gas	775.76	J/mol×K	740.41	Joback Calculated Property
Cp,gas	790.74	J/mol×K	769.07	Joback Calculated Property
Cp,gas	804.91	J/mol×K	797.72	Joback Calculated Property
Cp,gas	818.29	J/mol×K	826.38	Joback Calculated Property
Cp,gas	830.90	J/mol×K	855.03	Joback Calculated Property
Cp,gas	842.76	J/mol×K	883.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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