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

InChI

InChI=1S/C20H21FO4/c1-14(2)15-8-3-5-10-17(15)24-19(22)12-7-13-20(23)25-18-11-6-4-9-16(18)21/h3-6,8-11,14H,7,12-13H2,1-2H3

InChI Key

AMHJRVWBUBAIFP-UHFFFAOYSA-N

Formula

C20H21FO4

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

344.38

• 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	0.8455		Relay (1.0) Calculated Property
ΔfG°	-342.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.99	kJ/mol	Joback Calculated Property
ΔvapH°	106.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.630		Crippen Calculated Property
McVol	261.790	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[2553.00; 2553.00]
Inp	2553.00		NIST
Inp	2553.00		NIST
Tboil	635.85	K	Relay (1.0) Calculated Property
Tc	891.72	K	Relay (1.0) Calculated Property
Tfus	342.17	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[788.22; 852.30]	J/mol×K	[871.73; 1092.61]
Cp,gas	788.22	J/mol×K	871.73	Joback Calculated Property
Cp,gas	801.95	J/mol×K	908.54	Joback Calculated Property
Cp,gas	814.42	J/mol×K	945.36	Joback Calculated Property
Cp,gas	825.65	J/mol×K	982.17	Joback Calculated Property
Cp,gas	835.69	J/mol×K	1018.98	Joback Calculated Property
Cp,gas	844.56	J/mol×K	1055.79	Joback Calculated Property
Cp,gas	852.30	J/mol×K	1092.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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