Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylhex-3-yl ester

InChI

InChI=1S/C15H25F3O4/c1-5-7-12(10(2)3)22-14(20)9-6-8-13(19)21-11(4)15(16,17)18/h10-12H,5-9H2,1-4H3

InChI Key

XEGMQPAZNNARTF-UHFFFAOYSA-N

Formula

C15H25F3O4

SMILES

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

Molecular Weight¹

326.35

• 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°	-981.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1455.45	kJ/mol	Joback Calculated Property
ΔfusH°	31.44	kJ/mol	Joback Calculated Property
ΔvapH°	62.39	kJ/mol	Joback Calculated Property
log10WS	-4.47		Crippen Calculated Property
logPoct/wat	4.019		Crippen Calculated Property
McVol	242.400	ml/mol	McGowan Calculated Property
Pc	1415.44	kPa	Joback Calculated Property
Inp	[1512.00; 1512.00]
Inp	1512.00		NIST
Inp	1512.00		NIST
Tboil	688.44	K	Joback Calculated Property
Tc	861.44	K	Joback Calculated Property
Tfus	362.32	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.58; 786.17]	J/mol×K	[688.44; 861.44]
Cp,gas	704.58	J/mol×K	688.44	Joback Calculated Property
Cp,gas	720.16	J/mol×K	717.27	Joback Calculated Property
Cp,gas	734.92	J/mol×K	746.11	Joback Calculated Property
Cp,gas	748.88	J/mol×K	774.94	Joback Calculated Property
Cp,gas	762.07	J/mol×K	803.78	Joback Calculated Property
Cp,gas	774.49	J/mol×K	832.61	Joback Calculated Property
Cp,gas	786.17	J/mol×K	861.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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