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

InChI

InChI=1S/C15H18F2O4/c1-2-8-20-14(18)4-3-5-15(19)21-10-11-9-12(16)6-7-13(11)17/h6-7,9H,2-5,8,10H2,1H3

InChI Key

WZZQGXNCXFIHNU-UHFFFAOYSA-N

Formula

C15H18F2O4

SMILES

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

Molecular Weight¹

300.30

• 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	0.7962		Relay (1.0) Calculated Property
ΔfG°	-688.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1098.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.60	kJ/mol	Joback Calculated Property
ΔvapH°	85.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	3.131		Crippen Calculated Property
McVol	216.870	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[1940.00; 1940.00]
Inp	1940.00		NIST
Inp	1940.00		NIST
Tboil	591.84	K	Relay (1.0) Calculated Property
Tc	767.50	K	Relay (1.0) Calculated Property
Tfus	281.48	K	Relay (1.0) Calculated Property
Vc	0.817	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.38; 677.64]	J/mol×K	[730.36; 921.52]
Cp,gas	608.38	J/mol×K	730.36	Joback Calculated Property
Cp,gas	621.95	J/mol×K	762.22	Joback Calculated Property
Cp,gas	634.70	J/mol×K	794.08	Joback Calculated Property
Cp,gas	646.64	J/mol×K	825.94	Joback Calculated Property
Cp,gas	657.77	J/mol×K	857.80	Joback Calculated Property
Cp,gas	668.10	J/mol×K	889.66	Joback Calculated Property
Cp,gas	677.64	J/mol×K	921.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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