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

InChI

InChI=1S/C15H12F8O4/c1-6(15(21,22)23)27-9(25)4-2-3-8(24)26-5-7-10(16)12(18)14(20)13(19)11(7)17/h6H,2-5H2,1H3

InChI Key

CQDSUXZTIDSMHS-UHFFFAOYSA-N

Formula

C15H12F8O4

SMILES

CC(OC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F

Molecular Weight¹

408.24

• 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°	-1886.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-2246.26	kJ/mol	Joback Calculated Property
ΔfusH°	45.98	kJ/mol	Joback Calculated Property
ΔvapH°	64.66	kJ/mol	Joback Calculated Property
log10WS	-5.86		Crippen Calculated Property
logPoct/wat	4.090		Crippen Calculated Property
McVol	227.490	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[1632.00; 1632.00]
Inp	1632.00		NIST
Inp	1632.00		NIST
Tboil	737.25	K	Joback Calculated Property
Tc	910.75	K	Joback Calculated Property
Tfus	484.29	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.22; 712.59]	J/mol×K	[737.25; 910.75]
Cp,gas	655.22	J/mol×K	737.25	Joback Calculated Property
Cp,gas	666.45	J/mol×K	766.17	Joback Calculated Property
Cp,gas	677.00	J/mol×K	795.08	Joback Calculated Property
Cp,gas	686.87	J/mol×K	824.00	Joback Calculated Property
Cp,gas	696.09	J/mol×K	852.92	Joback Calculated Property
Cp,gas	704.66	J/mol×K	881.83	Joback Calculated Property
Cp,gas	712.59	J/mol×K	910.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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