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

InChI

InChI=1S/C16H20ClFO4/c1-10(2)11(3)21-14(19)8-5-9-15(20)22-16-12(17)6-4-7-13(16)18/h4,6-7,10-11H,5,8-9H2,1-3H3

InChI Key

AQYDVOHHCOSRMD-UHFFFAOYSA-N

Formula

C16H20ClFO4

SMILES

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

Molecular Weight¹

330.78

• 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	0.7860		Relay (1.0) Calculated Property
ΔfG°	-502.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-959.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.26	kJ/mol	Joback Calculated Property
ΔvapH°	88.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	4.142		Crippen Calculated Property
McVol	241.430	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[2082.00; 2082.00]
Inp	2082.00		NIST
Inp	2082.00		NIST
Tboil	581.92	K	Relay (1.0) Calculated Property
Tc	806.90	K	Relay (1.0) Calculated Property
Tfus	320.89	K	Relay (1.0) Calculated Property
Vc	0.877	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.92; 750.66]	J/mol×K	[790.52; 995.99]
Cp,gas	682.92	J/mol×K	790.52	Joback Calculated Property
Cp,gas	696.68	J/mol×K	824.77	Joback Calculated Property
Cp,gas	709.43	J/mol×K	859.01	Joback Calculated Property
Cp,gas	721.20	J/mol×K	893.26	Joback Calculated Property
Cp,gas	731.99	J/mol×K	927.50	Joback Calculated Property
Cp,gas	741.80	J/mol×K	961.75	Joback Calculated Property
Cp,gas	750.66	J/mol×K	995.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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