Chemical Properties of Diglycolic acid, pentafluorobenzyl tridecyl ester

InChI

InChI=1S/C24H33F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-33-18(30)15-32-16-19(31)34-14-17-20(25)22(27)24(29)23(28)21(17)26/h2-16H2,1H3

InChI Key

VGWOROKRNKTAAQ-UHFFFAOYSA-N

Formula

C24H33F5O5

SMILES

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

Molecular Weight¹

496.51

• 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	1.2280		Relay (1.0) Calculated Property
ΔfG°	-1331.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1824.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.17	kJ/mol	Joback Calculated Property
ΔvapH°	117.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-8.12		Relay (1.0) Calculated Property
logPoct/wat	6.296		Crippen Calculated Property
McVol	354.860	ml/mol	McGowan Calculated Property
Pc	856.97	kPa	Joback Calculated Property
Inp	[3401.00; 3401.00]
Inp	3401.00		NIST
Inp	3401.00		NIST
Tboil	671.65	K	Relay (1.0) Calculated Property
Tc	835.24	K	Relay (1.0) Calculated Property
Tfus	333.83	K	Relay (1.0) Calculated Property
Vc	1.339	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1180.61; 1248.64]	J/mol×K	[971.45; 1199.39]
Cp,gas	1180.61	J/mol×K	971.45	Joback Calculated Property
Cp,gas	1196.44	J/mol×K	1009.44	Joback Calculated Property
Cp,gas	1210.47	J/mol×K	1047.43	Joback Calculated Property
Cp,gas	1222.69	J/mol×K	1085.42	Joback Calculated Property
Cp,gas	1233.13	J/mol×K	1123.41	Joback Calculated Property
Cp,gas	1241.77	J/mol×K	1161.40	Joback Calculated Property
Cp,gas	1248.64	J/mol×K	1199.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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