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

InChI

InChI=1S/C17H22ClFO4/c1-4-14(11(2)3)22-15(20)9-6-10-16(21)23-17-12(18)7-5-8-13(17)19/h5,7-8,11,14H,4,6,9-10H2,1-3H3

InChI Key

WMQVDOXBIPTPKX-UHFFFAOYSA-N

Formula

C17H22ClFO4

SMILES

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

Molecular Weight¹

344.81

• 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°	-494.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-892.63	kJ/mol	Joback Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	78.14	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.533		Crippen Calculated Property
McVol	255.520	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[2161.00; 2161.00]
Inp	2161.00		NIST
Inp	2161.00		NIST
Tboil	813.40	K	Joback Calculated Property
Tc	1017.91	K	Joback Calculated Property
Tfus	477.64	K	Joback Calculated Property
Vc	0.983	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.00; 807.80]	J/mol×K	[813.40; 1017.91]
Cp,gas	739.00	J/mol×K	813.40	Joback Calculated Property
Cp,gas	753.03	J/mol×K	847.48	Joback Calculated Property
Cp,gas	766.01	J/mol×K	881.57	Joback Calculated Property
Cp,gas	777.97	J/mol×K	915.65	Joback Calculated Property
Cp,gas	788.91	J/mol×K	949.74	Joback Calculated Property
Cp,gas	798.85	J/mol×K	983.82	Joback Calculated Property
Cp,gas	807.80	J/mol×K	1017.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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