Chemical Properties of Diglycolic acid, hexyl pentafluorobenzyl ester

InChI

InChI=1S/C17H19F5O5/c1-2-3-4-5-6-26-11(23)8-25-9-12(24)27-7-10-13(18)15(20)17(22)16(21)14(10)19/h2-9H2,1H3

InChI Key

MQVOXGNYFNWQTH-UHFFFAOYSA-N

Formula

C17H19F5O5

SMILES

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

Molecular Weight¹

398.32

• 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	0.9674		Relay (1.0) Calculated Property
ΔfG°	-1390.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1692.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.04	kJ/mol	Joback Calculated Property
ΔvapH°	90.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-5.92		Relay (1.0) Calculated Property
logPoct/wat	3.565		Crippen Calculated Property
McVol	256.230	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[2566.00; 2566.00]
Inp	2566.00		NIST
Inp	2566.00		NIST
Tboil	609.05	K	Relay (1.0) Calculated Property
Tc	775.10	K	Relay (1.0) Calculated Property
Tfus	309.17	K	Relay (1.0) Calculated Property
Vc	0.962	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[766.85; 830.58]	J/mol×K	[811.29; 996.24]
Cp,gas	766.85	J/mol×K	811.29	Joback Calculated Property
Cp,gas	779.72	J/mol×K	842.11	Joback Calculated Property
Cp,gas	791.71	J/mol×K	872.94	Joback Calculated Property
Cp,gas	802.80	J/mol×K	903.76	Joback Calculated Property
Cp,gas	812.98	J/mol×K	934.59	Joback Calculated Property
Cp,gas	822.25	J/mol×K	965.41	Joback Calculated Property
Cp,gas	830.58	J/mol×K	996.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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