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

InChI

InChI=1S/C14H16BrFO5/c1-2-3-6-20-13(17)8-19-9-14(18)21-12-5-4-10(16)7-11(12)15/h4-5,7H,2-3,6,8-9H2,1H3

InChI Key

YFOVWLCIKIQRFM-UHFFFAOYSA-N

Formula

C14H16BrFO5

SMILES

CCCCOC(=O)COCC(=O)Oc1ccc(F)cc1Br

Molecular Weight¹

363.18

• 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°	-593.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.30	kJ/mol	Joback Calculated Property
ΔfusH°	40.41	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	2.853		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[2793.00; 2793.00]
Inp	2793.00		NIST
Inp	2793.00		NIST
Tboil	796.79	K	Joback Calculated Property
Tc	1005.29	K	Joback Calculated Property
Tfus	525.94	K	Joback Calculated Property
Vc	0.858	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.01; 667.73]	J/mol×K	[796.79; 1005.29]
Cp,gas	610.01	J/mol×K	796.79	Joback Calculated Property
Cp,gas	621.94	J/mol×K	831.54	Joback Calculated Property
Cp,gas	632.95	J/mol×K	866.29	Joback Calculated Property
Cp,gas	643.04	J/mol×K	901.04	Joback Calculated Property
Cp,gas	652.20	J/mol×K	935.79	Joback Calculated Property
Cp,gas	660.43	J/mol×K	970.54	Joback Calculated Property
Cp,gas	667.73	J/mol×K	1005.29	Joback Calculated Property

Similar Compounds

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