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

InChI

InChI=1S/C19H26BrFO5/c1-2-3-4-5-6-7-8-11-25-18(22)13-24-14-19(23)26-17-10-9-15(21)12-16(17)20/h9-10,12H,2-8,11,13-14H2,1H3

InChI Key

JQBIAICMGNDDRF-UHFFFAOYSA-N

Formula

C19H26BrFO5

SMILES

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

Molecular Weight¹

433.31

• 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°	-551.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1013.50	kJ/mol	Joback Calculated Property
ΔfusH°	53.36	kJ/mol	Joback Calculated Property
ΔvapH°	87.83	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.804		Crippen Calculated Property
McVol	294.830	ml/mol	McGowan Calculated Property
Pc	1432.63	kPa	Joback Calculated Property
Inp	[3434.00; 3434.00]
Inp	3434.00		NIST
Inp	3434.00		NIST
Tboil	911.19	K	Joback Calculated Property
Tc	1120.67	K	Joback Calculated Property
Tfus	582.29	K	Joback Calculated Property
Vc	1.137	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.26; 955.14]	J/mol×K	[911.19; 1120.67]
Cp,gas	893.26	J/mol×K	911.19	Joback Calculated Property
Cp,gas	906.51	J/mol×K	946.10	Joback Calculated Property
Cp,gas	918.57	J/mol×K	981.02	Joback Calculated Property
Cp,gas	929.45	J/mol×K	1015.93	Joback Calculated Property
Cp,gas	939.16	J/mol×K	1050.85	Joback Calculated Property
Cp,gas	947.72	J/mol×K	1085.76	Joback Calculated Property
Cp,gas	955.14	J/mol×K	1120.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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