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

InChI

InChI=1S/C21H30ClFO4/c1-3-4-5-6-7-8-11-16(2)26-19(24)14-10-15-20(25)27-21-17(22)12-9-13-18(21)23/h9,12-13,16H,3-8,10-11,14-15H2,1-2H3

InChI Key

GCEWDRIIEUHUPL-UHFFFAOYSA-N

Formula

C21H30ClFO4

SMILES

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

Molecular Weight¹

400.91

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0118		Relay (1.0) Calculated Property
ΔfG°	-457.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1053.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.74	kJ/mol	Joback Calculated Property
ΔvapH°	107.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	6.237		Crippen Calculated Property
McVol	311.880	ml/mol	McGowan Calculated Property
Pc	1176.85	kPa	Joback Calculated Property
Inp	[2573.00; 2573.00]
Inp	2573.00		NIST
Inp	2573.00		NIST
Tboil	625.10	K	Relay (1.0) Calculated Property
Tc	848.01	K	Relay (1.0) Calculated Property
Tfus	311.65	K	Relay (1.0) Calculated Property
Vc	1.157	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.15; 1042.48]	J/mol×K	[905.36; 1111.84]
Cp,gas	971.15	J/mol×K	905.36	Joback Calculated Property
Cp,gas	985.99	J/mol×K	939.77	Joback Calculated Property
Cp,gas	999.61	J/mol×K	974.19	Joback Calculated Property
Cp,gas	1012.05	J/mol×K	1008.60	Joback Calculated Property
Cp,gas	1023.32	J/mol×K	1043.02	Joback Calculated Property
Cp,gas	1033.46	J/mol×K	1077.43	Joback Calculated Property
Cp,gas	1042.48	J/mol×K	1111.84	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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