Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C16H18F4O4/c1-10-5-3-6-12(11(10)2)24-14(22)8-4-7-13(21)23-9-16(19,20)15(17)18/h3,5-6,15H,4,7-9H2,1-2H3

InChI Key

NFWPZFJIWQNKAI-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)F)c1C

Molecular Weight¹

350.31

• 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°	-1069.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1448.05	kJ/mol	Joback Calculated Property
ΔfusH°	37.42	kJ/mol	Joback Calculated Property
ΔvapH°	68.17	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.823		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1582.23	kPa	Joback Calculated Property
Inp	[1947.00; 1947.00]
Inp	1947.00		NIST
Inp	1947.00		NIST
Tboil	748.11	K	Joback Calculated Property
Tc	936.51	K	Joback Calculated Property
Tfus	455.64	K	Joback Calculated Property
Vc	0.926	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.25; 749.05]	J/mol×K	[748.11; 936.51]
Cp,gas	681.25	J/mol×K	748.11	Joback Calculated Property
Cp,gas	694.65	J/mol×K	779.51	Joback Calculated Property
Cp,gas	707.19	J/mol×K	810.91	Joback Calculated Property
Cp,gas	718.87	J/mol×K	842.31	Joback Calculated Property
Cp,gas	729.73	J/mol×K	873.71	Joback Calculated Property
Cp,gas	739.78	J/mol×K	905.11	Joback Calculated Property
Cp,gas	749.05	J/mol×K	936.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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