Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C19H26ClFO4/c1-13(11-19(2,3)4)12-24-16(22)9-6-10-17(23)25-18-14(20)7-5-8-15(18)21/h5,7-8,13H,6,9-12H2,1-4H3

InChI Key

QZVCTGWZWWHZMM-UHFFFAOYSA-N

Formula

C19H26ClFO4

SMILES

CC(COC(=O)CCCC(=O)Oc1c(F)cccc1Cl)CC(C)(C)C

Molecular Weight¹

372.86

• 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	0.8547		Relay (1.0) Calculated Property
ΔfG°	-471.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1036.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.14	kJ/mol	Joback Calculated Property
ΔvapH°	94.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	5.170		Crippen Calculated Property
McVol	283.700	ml/mol	McGowan Calculated Property
Pc	1367.69	kPa	Joback Calculated Property
Inp	[2339.00; 2339.00]
Inp	2339.00		NIST
Inp	2339.00		NIST
Tboil	616.68	K	Relay (1.0) Calculated Property
Tc	831.83	K	Relay (1.0) Calculated Property
Tfus	337.06	K	Relay (1.0) Calculated Property
Vc	1.026	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.29; 925.37]	J/mol×K	[856.37; 1064.14]
Cp,gas	854.29	J/mol×K	856.37	Joback Calculated Property
Cp,gas	868.78	J/mol×K	891.00	Joback Calculated Property
Cp,gas	882.16	J/mol×K	925.63	Joback Calculated Property
Cp,gas	894.47	J/mol×K	960.26	Joback Calculated Property
Cp,gas	905.75	J/mol×K	994.89	Joback Calculated Property
Cp,gas	916.04	J/mol×K	1029.51	Joback Calculated Property
Cp,gas	925.37	J/mol×K	1064.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2,4,4-trimethylpentyl ester.

Sources

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

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