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

InChI

InChI=1S/C18H24ClFO4/c1-4-7-15(12(2)3)23-16(21)10-6-11-17(22)24-18-13(19)8-5-9-14(18)20/h5,8-9,12,15H,4,6-7,10-11H2,1-3H3

InChI Key

RSAWJSWCBKNRLN-UHFFFAOYSA-N

Formula

C18H24ClFO4

SMILES

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

Molecular Weight¹

358.83

• 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	0.8500		Relay (1.0) Calculated Property
ΔfG°	-485.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-989.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.44	kJ/mol	Joback Calculated Property
ΔvapH°	94.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.923		Crippen Calculated Property
McVol	269.610	ml/mol	McGowan Calculated Property
Pc	1457.90	kPa	Joback Calculated Property
Inp	[2223.00; 2223.00]
Inp	2223.00		NIST
Inp	2223.00		NIST
Tboil	604.71	K	Relay (1.0) Calculated Property
Tc	820.25	K	Relay (1.0) Calculated Property
Tfus	300.27	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.98; 865.63]	J/mol×K	[836.28; 1040.45]
Cp,gas	795.98	J/mol×K	836.28	Joback Calculated Property
Cp,gas	810.25	J/mol×K	870.31	Joback Calculated Property
Cp,gas	823.43	J/mol×K	904.34	Joback Calculated Property
Cp,gas	835.54	J/mol×K	938.37	Joback Calculated Property
Cp,gas	846.60	J/mol×K	972.40	Joback Calculated Property
Cp,gas	856.63	J/mol×K	1006.42	Joback Calculated Property
Cp,gas	865.63	J/mol×K	1040.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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