Chemical Properties of Glutaric acid, 2-fluorophenyl isopropyl ester

InChI

InChI=1S/C14H17FO4/c1-10(2)18-13(16)8-5-9-14(17)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3

InChI Key

XPGGZVFBXMRMFH-UHFFFAOYSA-N

Formula

C14H17FO4

SMILES

CC(C)OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

268.28

• 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	0.7208		Relay (1.0) Calculated Property
ΔfG°	-495.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.80	kJ/mol	Joback Calculated Property
ΔvapH°	81.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.853		Crippen Calculated Property
McVol	201.010	ml/mol	McGowan Calculated Property
Pc	2083.12	kPa	Joback Calculated Property
Inp	[1762.00; 1762.00]
Inp	1762.00		NIST
Inp	1762.00		NIST
Tboil	549.05	K	Relay (1.0) Calculated Property
Tc	760.59	K	Relay (1.0) Calculated Property
Tfus	299.01	K	Relay (1.0) Calculated Property
Vc	0.753	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.41; 619.56]	J/mol×K	[702.79; 904.30]
Cp,gas	548.41	J/mol×K	702.79	Joback Calculated Property
Cp,gas	562.43	J/mol×K	736.37	Joback Calculated Property
Cp,gas	575.58	J/mol×K	769.96	Joback Calculated Property
Cp,gas	587.86	J/mol×K	803.54	Joback Calculated Property
Cp,gas	599.28	J/mol×K	837.13	Joback Calculated Property
Cp,gas	609.84	J/mol×K	870.71	Joback Calculated Property
Cp,gas	619.56	J/mol×K	904.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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