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

InChI

InChI=1S/C20H28ClFO4/c1-2-3-4-5-6-7-8-15-25-18(23)13-10-14-19(24)26-20-16(21)11-9-12-17(20)22/h9,11-12H,2-8,10,13-15H2,1H3

InChI Key

FJWBCKWBOCCYMK-UHFFFAOYSA-N

Formula

C20H28ClFO4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

386.88

• 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°	-463.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-943.99	kJ/mol	Joback Calculated Property
ΔfusH°	53.67	kJ/mol	Joback Calculated Property
ΔvapH°	85.59	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	5.849		Crippen Calculated Property
McVol	297.790	ml/mol	McGowan Calculated Property
Pc	1251.26	kPa	Joback Calculated Property
Inp	[2619.00; 2619.00]
Inp	2619.00		NIST
Inp	2619.00		NIST
Tboil	882.92	K	Joback Calculated Property
Tc	1086.02	K	Joback Calculated Property
Tfus	541.45	K	Joback Calculated Property
Vc	1.163	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[911.35; 982.14]	J/mol×K	[882.92; 1086.02]
Cp,gas	911.35	J/mol×K	882.92	Joback Calculated Property
Cp,gas	925.90	J/mol×K	916.77	Joback Calculated Property
Cp,gas	939.32	J/mol×K	950.62	Joback Calculated Property
Cp,gas	951.64	J/mol×K	984.47	Joback Calculated Property
Cp,gas	962.86	J/mol×K	1018.32	Joback Calculated Property
Cp,gas	973.02	J/mol×K	1052.17	Joback Calculated Property
Cp,gas	982.14	J/mol×K	1086.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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