Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl non-5-yn-3-yl ester

InChI

InChI=1S/C17H25F3O4/c1-4-6-7-8-10-14(5-2)24-16(22)12-9-11-15(21)23-13(3)17(18,19)20/h13-14H,4-6,9-12H2,1-3H3

InChI Key

SPEKVDURYGZRQL-UHFFFAOYSA-N

Formula

C17H25F3O4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

350.37

• 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°	-759.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1219.15	kJ/mol	Joback Calculated Property
ΔfusH°	43.26	kJ/mol	Joback Calculated Property
ΔvapH°	69.38	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.166		Crippen Calculated Property
McVol	261.980	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[1766.00; 1766.00]
Inp	1766.00		NIST
Inp	1766.00		NIST
Tboil	743.64	K	Joback Calculated Property
Tc	927.18	K	Joback Calculated Property
Tfus	505.96	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[770.51; 850.38]	J/mol×K	[743.64; 927.18]
Cp,gas	770.51	J/mol×K	743.64	Joback Calculated Property
Cp,gas	785.96	J/mol×K	774.23	Joback Calculated Property
Cp,gas	800.53	J/mol×K	804.82	Joback Calculated Property
Cp,gas	814.24	J/mol×K	835.41	Joback Calculated Property
Cp,gas	827.10	J/mol×K	866.00	Joback Calculated Property
Cp,gas	839.14	J/mol×K	896.59	Joback Calculated Property
Cp,gas	850.38	J/mol×K	927.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl non-5-yn-3-yl ester.

Sources

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

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