Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-bromophenyl ester

InChI

InChI=1S/C14H13BrF4O4/c15-9-4-6-10(7-5-9)23-12(21)3-1-2-11(20)22-8-14(18,19)13(16)17/h4-7,13H,1-3,8H2

InChI Key

DRCQEMBXHVKVRJ-UHFFFAOYSA-N

Formula

C14H13BrF4O4

SMILES

O=C(CCCC(=O)Oc1ccc(Br)cc1)OCC(F)(F)C(F)F

Molecular Weight¹

401.15

• 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	0.8054		Relay (1.0) Calculated Property
ΔfG°	-1062.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1455.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.91	kJ/mol	Joback Calculated Property
ΔvapH°	90.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	223.820	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Inp	[2063.00; 2063.00]
Inp	2063.00		NIST
Inp	2063.00		NIST
Tboil	610.01	K	Relay (1.0) Calculated Property
Tc	790.38	K	Relay (1.0) Calculated Property
Tfus	344.19	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	[611.54; 667.05]	J/mol×K	[763.53; 963.14]
Cp,gas	611.54	J/mol×K	763.53	Joback Calculated Property
Cp,gas	622.78	J/mol×K	796.80	Joback Calculated Property
Cp,gas	633.19	J/mol×K	830.07	Joback Calculated Property
Cp,gas	642.78	J/mol×K	863.34	Joback Calculated Property
Cp,gas	651.60	J/mol×K	896.60	Joback Calculated Property
Cp,gas	659.68	J/mol×K	929.87	Joback Calculated Property
Cp,gas	667.05	J/mol×K	963.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-bromophenyl ester.

Sources

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

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