Chemical Properties of Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester

InChI

InChI=1S/C14H16BrFO5/c1-9(2)6-20-13(17)7-19-8-14(18)21-12-4-3-10(16)5-11(12)15/h3-5,9H,6-8H2,1-2H3

InChI Key

OKVXSKIOEAFEHK-UHFFFAOYSA-N

Formula

C14H16BrFO5

SMILES

CC(C)COC(=O)COCC(=O)Oc1ccc(F)cc1Br

Molecular Weight¹

363.18

• 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	0.8119		Relay (... Calculated Property
ΔfG°	-595.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1016.81	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.88	kJ/mol	Joback Calculated Property
ΔvapH°	86.22	kJ/mol	Relay (... Calculated Property
IE	8.56	eV	Relay (... Calculated Property
log10WS	-4.02		Relay (... Calculated Property
logPoct/wat	2.709		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[2727.00; 2727.00]
Inp	2727.00		NIST
Inp	2727.00		NIST
Tboil	617.91	K	Relay (... Calculated Property
Tc	809.35	K	Relay (... Calculated Property
Tfus	315.46	K	Relay (... Calculated Property
Vc	0.809	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.60; 668.72]	J/mol×K	[796.35; 1007.69]
Cp,gas	610.60	J/mol×K	796.35	Joback Calculated Property
Cp,gas	622.69	J/mol×K	831.57	Joback Calculated Property
Cp,gas	633.82	J/mol×K	866.80	Joback Calculated Property
Cp,gas	644.00	J/mol×K	902.02	Joback Calculated Property
Cp,gas	653.21	J/mol×K	937.25	Joback Calculated Property
Cp,gas	661.45	J/mol×K	972.47	Joback Calculated Property
Cp,gas	668.72	J/mol×K	1007.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• 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.