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

InChI

InChI=1S/C14H10F8O4/c1-5(14(20,21)22)25-6(23)3-2-4-7(24)26-13-11(18)9(16)8(15)10(17)12(13)19/h5H,2-4H2,1H3

InChI Key

IBFZMVVESANPFI-UHFFFAOYSA-N

Formula

C14H10F8O4

SMILES

CC(OC(=O)CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F

Molecular Weight¹

394.21

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8057		Relay (1.0) Calculated Property
ΔfG°	-1894.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-2125.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.39	kJ/mol	Joback Calculated Property
ΔvapH°	79.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	3.952		Crippen Calculated Property
McVol	213.400	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[1503.00; 1503.00]
Inp	1503.00		NIST
Inp	1503.00		NIST
Tboil	521.60	K	Relay (1.0) Calculated Property
Tc	696.82	K	Relay (1.0) Calculated Property
Tfus	311.92	K	Relay (1.0) Calculated Property
Vc	0.798	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.33; 657.11]	J/mol×K	[714.37; 886.42]
Cp,gas	602.33	J/mol×K	714.37	Joback Calculated Property
Cp,gas	613.00	J/mol×K	743.04	Joback Calculated Property
Cp,gas	623.05	J/mol×K	771.72	Joback Calculated Property
Cp,gas	632.48	J/mol×K	800.39	Joback Calculated Property
Cp,gas	641.30	J/mol×K	829.07	Joback Calculated Property
Cp,gas	649.51	J/mol×K	857.74	Joback Calculated Property
Cp,gas	657.11	J/mol×K	886.42	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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