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

InChI

InChI=1S/C21H20F4O4/c22-20(23)21(24,25)14-28-17(26)12-7-13-18(27)29-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,19-20H,7,12-14H2

InChI Key

LKKLVLGEAOUGNK-UHFFFAOYSA-N

Formula

C21H20F4O4

SMILES

O=C(CCCC(=O)OC(c1ccccc1)c1ccccc1)OCC(F)(F)C(F)F

Molecular Weight¹

412.37

• 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	0.8348		Relay (1.0) Calculated Property
ΔfG°	-898.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1382.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.66	kJ/mol	Joback Calculated Property
ΔvapH°	103.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.933		Crippen Calculated Property
McVol	281.190	ml/mol	McGowan Calculated Property
Pc	1451.25	kPa	Joback Calculated Property
Inp	[2359.00; 2359.00]
Inp	2359.00		NIST
Inp	2359.00		NIST
Tboil	645.26	K	Relay (1.0) Calculated Property
Tc	869.49	K	Relay (1.0) Calculated Property
Tfus	339.16	K	Relay (1.0) Calculated Property
Vc	1.005	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.47; 933.57]	J/mol×K	[878.79; 1089.99]
Cp,gas	871.47	J/mol×K	878.79	Joback Calculated Property
Cp,gas	884.48	J/mol×K	913.99	Joback Calculated Property
Cp,gas	896.34	J/mol×K	949.19	Joback Calculated Property
Cp,gas	907.11	J/mol×K	984.39	Joback Calculated Property
Cp,gas	916.86	J/mol×K	1019.59	Joback Calculated Property
Cp,gas	925.66	J/mol×K	1054.79	Joback Calculated Property
Cp,gas	933.57	J/mol×K	1089.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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