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

InChI

InChI=1S/C21H30ClFO4/c1-2-3-4-5-6-7-8-9-16-26-19(24)14-11-15-20(25)27-21-17(22)12-10-13-18(21)23/h10,12-13H,2-9,11,14-16H2,1H3

InChI Key

XEVLQXRVPDHNQI-UHFFFAOYSA-N

Formula

C21H30ClFO4

SMILES

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

Molecular Weight¹

400.91

• 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°	-455.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-964.63	kJ/mol	Joback Calculated Property
ΔfusH°	56.26	kJ/mol	Joback Calculated Property
ΔvapH°	87.82	kJ/mol	Joback Calculated Property
log10WS	-7.11		Crippen Calculated Property
logPoct/wat	6.239		Crippen Calculated Property
McVol	311.880	ml/mol	McGowan Calculated Property
Pc	1170.42	kPa	Joback Calculated Property
Inp	[2716.00; 2716.00]
Inp	2716.00		NIST
Inp	2716.00		NIST
Tboil	905.80	K	Joback Calculated Property
Tc	1111.46	K	Joback Calculated Property
Tfus	552.72	K	Joback Calculated Property
Vc	1.218	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.66; 1042.13]	J/mol×K	[905.80; 1111.46]
Cp,gas	970.66	J/mol×K	905.80	Joback Calculated Property
Cp,gas	985.47	J/mol×K	940.08	Joback Calculated Property
Cp,gas	999.09	J/mol×K	974.35	Joback Calculated Property
Cp,gas	1011.54	J/mol×K	1008.63	Joback Calculated Property
Cp,gas	1022.84	J/mol×K	1042.91	Joback Calculated Property
Cp,gas	1033.03	J/mol×K	1077.18	Joback Calculated Property
Cp,gas	1042.13	J/mol×K	1111.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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