Chemical Properties of Diglycolic acid, di(pentafluorobenzyl) ester

InChI

InChI=1S/C18H8F10O5/c19-9-5(10(20)14(24)17(27)13(9)23)1-32-7(29)3-31-4-8(30)33-2-6-11(21)15(25)18(28)16(26)12(6)22/h1-4H2

InChI Key

OLMOTAQHFRKKQH-UHFFFAOYSA-N

Formula

C18H8F10O5

SMILES

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

Molecular Weight¹

494.24

• 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	0.9924		Relay (1.0) Calculated Property
ΔfG°	-2291.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-2229.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.13	kJ/mol	Joback Calculated Property
ΔvapH°	100.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-8.14		Relay (1.0) Calculated Property
logPoct/wat	3.881		Crippen Calculated Property
McVol	255.410	ml/mol	McGowan Calculated Property
Pc	1267.35	kPa	Joback Calculated Property
Inp	[2647.00; 2647.00]
Inp	2647.00		NIST
Inp	2647.00		NIST
Tboil	627.99	K	Relay (1.0) Calculated Property
Tc	807.76	K	Relay (1.0) Calculated Property
Tfus	377.12	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[755.88; 796.41]	J/mol×K	[882.10; 1079.94]
Cp,gas	755.88	J/mol×K	882.10	Joback Calculated Property
Cp,gas	765.31	J/mol×K	915.07	Joback Calculated Property
Cp,gas	773.69	J/mol×K	948.05	Joback Calculated Property
Cp,gas	781.02	J/mol×K	981.02	Joback Calculated Property
Cp,gas	787.27	J/mol×K	1014.00	Joback Calculated Property
Cp,gas	792.41	J/mol×K	1046.97	Joback Calculated Property
Cp,gas	796.41	J/mol×K	1079.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(pentafluorobenzyl) ester.

Sources

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

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