Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C16H18F4O6/c1-23-10-5-3-6-11(24-2)14(10)26-13(22)8-4-7-12(21)25-9-16(19,20)15(17)18/h3,5-6,15H,4,7-9H2,1-2H3

InChI Key

SNAJIWKCFSOHSA-UHFFFAOYSA-N

Formula

C16H18F4O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

382.30

• 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	0.9316		Relay (1.0) Calculated Property
ΔfG°	-1279.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1768.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.79	kJ/mol	Joback Calculated Property
ΔvapH°	93.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	246.240	ml/mol	McGowan Calculated Property
Pc	1540.29	kPa	Joback Calculated Property
Inp	[2106.00; 2106.00]
Inp	2106.00		NIST
Inp	2106.00		NIST
Tboil	620.10	K	Relay (1.0) Calculated Property
Tc	795.06	K	Relay (1.0) Calculated Property
Tfus	353.72	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.84; 798.54]	J/mol×K	[792.95; 982.95]
Cp,gas	735.84	J/mol×K	792.95	Joback Calculated Property
Cp,gas	748.66	J/mol×K	824.62	Joback Calculated Property
Cp,gas	760.53	J/mol×K	856.28	Joback Calculated Property
Cp,gas	771.45	J/mol×K	887.95	Joback Calculated Property
Cp,gas	781.43	J/mol×K	919.62	Joback Calculated Property
Cp,gas	790.45	J/mol×K	951.28	Joback Calculated Property
Cp,gas	798.54	J/mol×K	982.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,6-dimethoxyphenyl ester.

Sources

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

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