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

InChI

InChI=1S/C21H36F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-28-18(26)14-13-15-19(27)29-17-21(24,25)20(22)23/h20H,2-17H2,1H3

InChI Key

BNQNLZMGMUUGJR-UHFFFAOYSA-N

Formula

C21H36F4O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

428.50

• 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	1.0918		Relay (... Calculated Property
ΔfG°	-1120.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1863.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	104.70	kJ/mol	Relay (... Calculated Property
IE	10.23	eV	Relay (... Calculated Property
log10WS	-6.47		Relay (... Calculated Property
logPoct/wat	6.454		Crippen Calculated Property
McVol	328.710	ml/mol	McGowan Calculated Property
Pc	921.06	kPa	Joback Calculated Property
Inp	[2338.00; 2338.00]
Inp	2338.00		NIST
Inp	2338.00		NIST
Tboil	619.92	K	Relay (... Calculated Property
Tc	765.71	K	Relay (... Calculated Property
Tfus	316.15	K	Relay (... Calculated Property
Vc	1.254	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1060.84; 1152.62]	J/mol×K	[825.87; 1011.25]
Cp,gas	1060.84	J/mol×K	825.87	Joback Calculated Property
Cp,gas	1078.76	J/mol×K	856.77	Joback Calculated Property
Cp,gas	1095.57	J/mol×K	887.66	Joback Calculated Property
Cp,gas	1111.33	J/mol×K	918.56	Joback Calculated Property
Cp,gas	1126.07	J/mol×K	949.46	Joback Calculated Property
Cp,gas	1139.82	J/mol×K	980.35	Joback Calculated Property
Cp,gas	1152.62	J/mol×K	1011.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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