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

InChI

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

InChI Key

TWCYQYXCCLKZQF-UHFFFAOYSA-N

Formula

C16H20ClFO4

SMILES

CC(C)(C)COC(=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°	-494.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-870.18	kJ/mol	Joback Calculated Property
ΔfusH°	35.90	kJ/mol	Joback Calculated Property
ΔvapH°	75.39	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	1701.90	kPa	Joback Calculated Property
Inp	[2074.00; 2074.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Tboil	788.17	K	Joback Calculated Property
Tc	995.84	K	Joback Calculated Property
Tfus	498.79	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.62; 751.01]	J/mol×K	[788.17; 995.84]
Cp,gas	683.62	J/mol×K	788.17	Joback Calculated Property
Cp,gas	697.23	J/mol×K	822.78	Joback Calculated Property
Cp,gas	709.85	J/mol×K	857.39	Joback Calculated Property
Cp,gas	721.51	J/mol×K	892.01	Joback Calculated Property
Cp,gas	732.23	J/mol×K	926.62	Joback Calculated Property
Cp,gas	742.06	J/mol×K	961.23	Joback Calculated Property
Cp,gas	751.01	J/mol×K	995.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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