Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C15H16BrF3O5/c1-9(15(17,18)19)23-13(20)4-3-5-14(21)24-11-7-6-10(16)8-12(11)22-2/h6-9H,3-5H2,1-2H3

InChI Key

OMZGKTDDYSUQFL-UHFFFAOYSA-N

Formula

C15H16BrF3O5

SMILES

COc1cc(Br)ccc1OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

413.18

• 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°	-973.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1337.19	kJ/mol	Joback Calculated Property
ΔfusH°	38.22	kJ/mol	Joback Calculated Property
ΔvapH°	75.61	kJ/mol	Joback Calculated Property
log10WS	-5.22		Crippen Calculated Property
logPoct/wat	4.027		Crippen Calculated Property
McVol	242.010	ml/mol	McGowan Calculated Property
Pc	1856.31	kPa	Joback Calculated Property
Inp	[2108.00; 2108.00]
Inp	2108.00		NIST
Inp	2108.00		NIST
Tboil	814.54	K	Joback Calculated Property
Tc	1019.64	K	Joback Calculated Property
Tfus	525.81	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.34; 738.40]	J/mol×K	[814.54; 1019.64]
Cp,gas	682.34	J/mol×K	814.54	Joback Calculated Property
Cp,gas	693.97	J/mol×K	848.72	Joback Calculated Property
Cp,gas	704.66	J/mol×K	882.91	Joback Calculated Property
Cp,gas	714.43	J/mol×K	917.09	Joback Calculated Property
Cp,gas	723.30	J/mol×K	951.27	Joback Calculated Property
Cp,gas	731.28	J/mol×K	985.46	Joback Calculated Property
Cp,gas	738.40	J/mol×K	1019.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl 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.