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

InChI

InChI=1S/C16H18ClFO4/c17-12-7-3-8-13(18)16(12)22-15(20)10-4-9-14(19)21-11-5-1-2-6-11/h3,7-8,11H,1-2,4-6,9-10H2

InChI Key

ZCQMHHJPJQABIR-UHFFFAOYSA-N

Formula

C16H18ClFO4

SMILES

O=C(CCCC(=O)OC1CCCC1)Oc1c(F)cccc1Cl

Molecular Weight¹

328.76

• 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°	-461.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.95	kJ/mol	Joback Calculated Property
ΔfusH°	37.24	kJ/mol	Joback Calculated Property
ΔvapH°	76.95	kJ/mol	Joback Calculated Property
log10WS	-5.02		Crippen Calculated Property
logPoct/wat	4.041		Crippen Calculated Property
McVol	230.570	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[2253.00; 2253.00]
Inp	2253.00		NIST
Inp	2253.00		NIST
Tboil	806.68	K	Joback Calculated Property
Tc	1026.03	K	Joback Calculated Property
Tfus	507.27	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.61; 739.85]	J/mol×K	[806.68; 1026.03]
Cp,gas	671.61	J/mol×K	806.68	Joback Calculated Property
Cp,gas	685.86	J/mol×K	843.24	Joback Calculated Property
Cp,gas	698.93	J/mol×K	879.80	Joback Calculated Property
Cp,gas	710.84	J/mol×K	916.35	Joback Calculated Property
Cp,gas	721.61	J/mol×K	952.91	Joback Calculated Property
Cp,gas	731.27	J/mol×K	989.47	Joback Calculated Property
Cp,gas	739.85	J/mol×K	1026.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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