Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester

InChI

InChI=1S/C16H20ClFO4/c1-11(2)9-10-21-14(19)7-4-8-15(20)22-16-12(17)5-3-6-13(16)18/h3,5-6,11H,4,7-10H2,1-2H3

InChI Key

VJHMOHZHMOHVJQ-UHFFFAOYSA-N

Formula

C16H20ClFO4

SMILES

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

Molecular Weight¹

330.78

• 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°	-500.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.71	kJ/mol	Joback Calculated Property
ΔfusH°	39.79	kJ/mol	Joback Calculated Property
ΔvapH°	76.30	kJ/mol	Joback Calculated Property
log10WS	-4.77		Crippen Calculated Property
logPoct/wat	4.144		Crippen Calculated Property
McVol	241.430	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[2329.00; 2329.00]
Inp	2329.00		NIST
Inp	2329.00		NIST
Tboil	790.96	K	Joback Calculated Property
Tc	993.83	K	Joback Calculated Property
Tfus	481.37	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.35; 749.58]	J/mol×K	[790.96; 993.83]
Cp,gas	682.35	J/mol×K	790.96	Joback Calculated Property
Cp,gas	695.94	J/mol×K	824.77	Joback Calculated Property
Cp,gas	708.56	J/mol×K	858.58	Joback Calculated Property
Cp,gas	720.22	J/mol×K	892.40	Joback Calculated Property
Cp,gas	730.94	J/mol×K	926.21	Joback Calculated Property
Cp,gas	740.72	J/mol×K	960.02	Joback Calculated Property
Cp,gas	749.58	J/mol×K	993.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.