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

InChI

InChI=1S/C19H26ClFO4/c1-3-5-6-9-14(4-2)24-17(22)12-8-13-18(23)25-19-15(20)10-7-11-16(19)21/h7,10-11,14H,3-6,8-9,12-13H2,1-2H3

InChI Key

HAPSBMKWZZEASR-UHFFFAOYSA-N

Formula

C19H26ClFO4

SMILES

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

Molecular Weight¹

372.86

• 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°	-474.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.63	kJ/mol	Joback Calculated Property
ΔfusH°	47.56	kJ/mol	Joback Calculated Property
ΔvapH°	82.98	kJ/mol	Joback Calculated Property
log10WS	-6.38		Crippen Calculated Property
logPoct/wat	5.457		Crippen Calculated Property
McVol	283.700	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[2338.00; 2338.00]
Inp	2338.00		NIST
Inp	2338.00		NIST
Tboil	859.60	K	Joback Calculated Property
Tc	1062.46	K	Joback Calculated Property
Tfus	515.18	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.27; 923.41]	J/mol×K	[859.60; 1062.46]
Cp,gas	853.27	J/mol×K	859.60	Joback Calculated Property
Cp,gas	867.65	J/mol×K	893.41	Joback Calculated Property
Cp,gas	880.93	J/mol×K	927.22	Joback Calculated Property
Cp,gas	893.13	J/mol×K	961.03	Joback Calculated Property
Cp,gas	904.26	J/mol×K	994.84	Joback Calculated Property
Cp,gas	914.35	J/mol×K	1028.65	Joback Calculated Property
Cp,gas	923.41	J/mol×K	1062.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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