Chemical Properties of Glutaric acid, 2-fluorophenyl 2-ethylbutyl ester

InChI

InChI=1S/C17H23FO4/c1-3-13(4-2)12-21-16(19)10-7-11-17(20)22-15-9-6-5-8-14(15)18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3

InChI Key

XXBHXKPHLZCYIC-UHFFFAOYSA-N

Formula

C17H23FO4

SMILES

CCC(CC)COC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

310.36

• 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).
• 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
ΔfG°	-470.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-860.14	kJ/mol	Joback Calculated Property
ΔfusH°	38.57	kJ/mol	Joback Calculated Property
ΔvapH°	73.48	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.881		Crippen Calculated Property
McVol	243.280	ml/mol	McGowan Calculated Property
Pc	1627.22	kPa	Joback Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		NIST
Tboil	771.43	K	Joback Calculated Property
Tc	968.49	K	Joback Calculated Property
Tfus	450.20	K	Joback Calculated Property
Vc	0.940	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.53; 788.46]	J/mol×K	[771.43; 968.49]
Cp,gas	712.53	J/mol×K	771.43	Joback Calculated Property
Cp,gas	727.61	J/mol×K	804.27	Joback Calculated Property
Cp,gas	741.70	J/mol×K	837.12	Joback Calculated Property
Cp,gas	754.82	J/mol×K	869.96	Joback Calculated Property
Cp,gas	766.97	J/mol×K	902.80	Joback Calculated Property
Cp,gas	778.18	J/mol×K	935.65	Joback Calculated Property
Cp,gas	788.46	J/mol×K	968.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 2-ethylbutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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