Chemical Properties of Diglycolic acid, octyl pentafluorobenzyl ester

InChI

InChI=1S/C19H23F5O5/c1-2-3-4-5-6-7-8-28-13(25)10-27-11-14(26)29-9-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3

InChI Key

ILYMSZYQYQCWDL-UHFFFAOYSA-N

Formula

C19H23F5O5

SMILES

CCCCCCCCOC(=O)COCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

426.37

• 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	1.0441		Relay (1.0) Calculated Property
ΔfG°	-1373.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1730.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.22	kJ/mol	Joback Calculated Property
ΔvapH°	97.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-6.62		Relay (1.0) Calculated Property
logPoct/wat	4.346		Crippen Calculated Property
McVol	284.410	ml/mol	McGowan Calculated Property
Pc	1160.08	kPa	Joback Calculated Property
Inp	[2810.00; 2810.00]
Inp	2810.00		NIST
Inp	2810.00		NIST
Tboil	629.19	K	Relay (1.0) Calculated Property
Tc	793.79	K	Relay (1.0) Calculated Property
Tfus	316.39	K	Relay (1.0) Calculated Property
Vc	1.071	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[881.73; 948.01]	J/mol×K	[857.05; 1049.45]
Cp,gas	881.73	J/mol×K	857.05	Joback Calculated Property
Cp,gas	895.48	J/mol×K	889.12	Joback Calculated Property
Cp,gas	908.15	J/mol×K	921.18	Joback Calculated Property
Cp,gas	919.75	J/mol×K	953.25	Joback Calculated Property
Cp,gas	930.27	J/mol×K	985.31	Joback Calculated Property
Cp,gas	939.69	J/mol×K	1017.38	Joback Calculated Property
Cp,gas	948.01	J/mol×K	1049.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, octyl pentafluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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