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

InChI

InChI=1S/C21H37F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-27-19(25)15-14-16-20(26)28-18(2)21(22,23)24/h18H,3-17H2,1-2H3

InChI Key

AMXBJUOJUWCTQW-UHFFFAOYSA-N

Formula

C21H37F3O4

SMILES

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

Molecular Weight¹

410.51

• 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°	-925.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1568.73	kJ/mol	Joback Calculated Property
ΔfusH°	54.02	kJ/mol	Joback Calculated Property
ΔvapH°	76.52	kJ/mol	Joback Calculated Property
log10WS	-7.11		Crippen Calculated Property
logPoct/wat	6.505		Crippen Calculated Property
McVol	326.940	ml/mol	McGowan Calculated Property
Pc	946.75	kPa	Joback Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Tboil	826.60	K	Joback Calculated Property
Tc	1012.02	K	Joback Calculated Property
Tfus	459.94	K	Joback Calculated Property
Vc	1.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1053.49; 1145.91]	J/mol×K	[826.60; 1012.02]
Cp,gas	1053.49	J/mol×K	826.60	Joback Calculated Property
Cp,gas	1071.50	J/mol×K	857.50	Joback Calculated Property
Cp,gas	1088.42	J/mol×K	888.41	Joback Calculated Property
Cp,gas	1104.29	J/mol×K	919.31	Joback Calculated Property
Cp,gas	1119.13	J/mol×K	950.21	Joback Calculated Property
Cp,gas	1132.99	J/mol×K	981.12	Joback Calculated Property
Cp,gas	1145.91	J/mol×K	1012.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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