Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C16H12BrF9O4/c17-9-6-8(18)4-5-10(9)30-12(28)3-1-2-11(27)29-7-14(21,22)16(25,26)15(23,24)13(19)20/h4-6,13H,1-3,7H2

InChI Key

YFJSGDXHRUHVTF-UHFFFAOYSA-N

Formula

C16H12BrF9O4

SMILES

O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

519.15

• 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°	-2023.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-2419.77	kJ/mol	Joback Calculated Property
ΔfusH°	43.27	kJ/mol	Joback Calculated Property
ΔvapH°	67.93	kJ/mol	Joback Calculated Property
log10WS	-6.75		Crippen Calculated Property
logPoct/wat	5.378		Crippen Calculated Property
McVol	260.850	ml/mol	McGowan Calculated Property
Pc	1443.54	kPa	Joback Calculated Property
Inp	[2022.00; 2022.00]
Inp	2022.00		NIST
Inp	2022.00		NIST
Tboil	804.16	K	Joback Calculated Property
Tc	992.31	K	Joback Calculated Property
Tfus	523.23	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[760.40; 811.25]	J/mol×K	[804.16; 992.31]
Cp,gas	760.40	J/mol×K	804.16	Joback Calculated Property
Cp,gas	770.65	J/mol×K	835.52	Joback Calculated Property
Cp,gas	780.11	J/mol×K	866.88	Joback Calculated Property
Cp,gas	788.84	J/mol×K	898.24	Joback Calculated Property
Cp,gas	796.90	J/mol×K	929.59	Joback Calculated Property
Cp,gas	804.35	J/mol×K	960.95	Joback Calculated Property
Cp,gas	811.25	J/mol×K	992.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-bromo-4-fluorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.