Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C16H18ClFO4/c1-11(2)9-10-21-14(19)7-4-8-15(20)22-16-12(17)5-3-6-13(16)18/h3,5-6,9H,4,7-8,10H2,1-2H3

InChI Key

IORYZGQIHYMTRN-UHFFFAOYSA-N

Formula

C16H18ClFO4

SMILES

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

Molecular Weight¹

328.76

• 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	0.7660		Relay (1.0) Calculated Property
ΔfG°	-425.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-855.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.20	kJ/mol	Joback Calculated Property
ΔvapH°	92.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	237.130	ml/mol	McGowan Calculated Property
Pc	1756.54	kPa	Joback Calculated Property
Inp	[2190.00; 2190.00]
Inp	2190.00		NIST
Inp	2190.00		NIST
Tboil	597.22	K	Relay (1.0) Calculated Property
Tc	817.08	K	Relay (1.0) Calculated Property
Tfus	319.60	K	Relay (1.0) Calculated Property
Vc	0.853	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.71; 720.54]	J/mol×K	[795.44; 1003.51]
Cp,gas	655.71	J/mol×K	795.44	Joback Calculated Property
Cp,gas	668.73	J/mol×K	830.12	Joback Calculated Property
Cp,gas	680.83	J/mol×K	864.80	Joback Calculated Property
Cp,gas	692.04	J/mol×K	899.48	Joback Calculated Property
Cp,gas	702.38	J/mol×K	934.15	Joback Calculated Property
Cp,gas	711.88	J/mol×K	968.83	Joback Calculated Property
Cp,gas	720.54	J/mol×K	1003.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-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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