Chemical Properties of Diglycolic acid, heptyl pentafluorobenzyl ester

InChI

InChI=1S/C18H21F5O5/c1-2-3-4-5-6-7-27-12(24)9-26-10-13(25)28-8-11-14(19)16(21)18(23)17(22)15(11)20/h2-10H2,1H3

InChI Key

OAILAWXPUQXZQU-UHFFFAOYSA-N

Formula

C18H21F5O5

SMILES

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

Molecular Weight¹

412.35

• 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	1.0059		Relay (1.0) Calculated Property
ΔfG°	-1381.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1711.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.63	kJ/mol	Joback Calculated Property
ΔvapH°	93.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	3.955		Crippen Calculated Property
McVol	270.320	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2624.00; 2624.00]
Inp	2624.00		NIST
Inp	2624.00		NIST
Tboil	619.39	K	Relay (1.0) Calculated Property
Tc	784.73	K	Relay (1.0) Calculated Property
Tfus	312.69	K	Relay (1.0) Calculated Property
Vc	1.016	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[823.88; 889.00]	J/mol×K	[834.17; 1022.43]
Cp,gas	823.88	J/mol×K	834.17	Joback Calculated Property
Cp,gas	837.19	J/mol×K	865.55	Joback Calculated Property
Cp,gas	849.54	J/mol×K	896.92	Joback Calculated Property
Cp,gas	860.90	J/mol×K	928.30	Joback Calculated Property
Cp,gas	871.27	J/mol×K	959.68	Joback Calculated Property
Cp,gas	880.64	J/mol×K	991.05	Joback Calculated Property
Cp,gas	889.00	J/mol×K	1022.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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