Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2-isopropylphenyl ester

InChI

InChI=1S/C20H20ClFO4/c1-13(2)14-7-3-4-10-17(14)25-18(23)11-6-12-19(24)26-20-15(21)8-5-9-16(20)22/h3-5,7-10,13H,6,11-12H2,1-2H3

InChI Key

AFUSJXBXBBISFU-UHFFFAOYSA-N

Formula

C20H20ClFO4

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

378.82

• 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°	-363.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-724.21	kJ/mol	Joback Calculated Property
ΔfusH°	43.80	kJ/mol	Joback Calculated Property
ΔvapH°	88.14	kJ/mol	Joback Calculated Property
log10WS	-6.37		Crippen Calculated Property
logPoct/wat	5.284		Crippen Calculated Property
McVol	274.030	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[2606.00; 2606.00]
Inp	2606.00		NIST
Inp	2606.00		NIST
Tboil	914.14	K	Joback Calculated Property
Tc	1139.63	K	Joback Calculated Property
Tfus	565.39	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.77; 864.75]	J/mol×K	[914.14; 1139.63]
Cp,gas	809.77	J/mol×K	914.14	Joback Calculated Property
Cp,gas	822.02	J/mol×K	951.72	Joback Calculated Property
Cp,gas	833.00	J/mol×K	989.30	Joback Calculated Property
Cp,gas	842.73	J/mol×K	1026.88	Joback Calculated Property
Cp,gas	851.25	J/mol×K	1064.46	Joback Calculated Property
Cp,gas	858.58	J/mol×K	1102.04	Joback Calculated Property
Cp,gas	864.75	J/mol×K	1139.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2-isopropylphenyl ester.

Sources

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

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