Chemical Properties of Glutaric acid, 2,5-difluorobenzyl hexyl ester

InChI

InChI=1S/C18H24F2O4/c1-2-3-4-5-11-23-17(21)7-6-8-18(22)24-13-14-12-15(19)9-10-16(14)20/h9-10,12H,2-8,11,13H2,1H3

InChI Key

JVXNPWJWCJTQTF-UHFFFAOYSA-N

Formula

C18H24F2O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

342.38

• 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	0.9160		Relay (1.0) Calculated Property
ΔfG°	-663.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1153.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.37	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	259.140	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[2245.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Tboil	621.65	K	Relay (1.0) Calculated Property
Tc	799.46	K	Relay (1.0) Calculated Property
Tfus	283.82	K	Relay (1.0) Calculated Property
Vc	0.975	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[775.61; 849.60]	J/mol×K	[799.00; 990.08]
Cp,gas	775.61	J/mol×K	799.00	Joback Calculated Property
Cp,gas	790.29	J/mol×K	830.85	Joback Calculated Property
Cp,gas	804.01	J/mol×K	862.69	Joback Calculated Property
Cp,gas	816.79	J/mol×K	894.54	Joback Calculated Property
Cp,gas	828.64	J/mol×K	926.39	Joback Calculated Property
Cp,gas	839.57	J/mol×K	958.23	Joback Calculated Property
Cp,gas	849.60	J/mol×K	990.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,5-difluorobenzyl hexyl ester.

Sources

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

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