Chemical Properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

InChI

InChI=1S/C22H36F6O12/c23-21(24,25)19(29)39-17-15-37-13-11-35-9-7-33-5-3-31-1-2-32-4-6-34-8-10-36-12-14-38-16-18-40-20(30)22(26,27)28/h1-18H2

InChI Key

TVYVLBOEKYNKNH-UHFFFAOYSA-N

Formula

C22H36F6O12

SMILES

O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

606.50

Other Names

• Nonaethylene glycol, bis(trifluoroacetate)
• 29,29,29-Trifluoro-28-oxo-3,6,9,12,15,18,21,24,27-nonaoxanonacos-1-yl trifluoroacetate

• 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	1.3914		Relay (... Calculated Property
ΔfG°	-2336.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-3222.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	71.47	kJ/mol	Joback Calculated Property
ΔvapH°	115.43	kJ/mol	Relay (... Calculated Property
IE	10.64	eV	Relay (... Calculated Property
log10WS	-2.23		Relay (... Calculated Property
logPoct/wat	1.330		Crippen Calculated Property
McVol	393.300	ml/mol	McGowan Calculated Property
Pc	769.04	kPa	Joback Calculated Property
Inp	[2674.60; 2674.60]
Inp	2674.60		NIST
Inp	2674.60		NIST
Tboil	693.71	K	Relay (... Calculated Property
Tc	786.54	K	Relay (... Calculated Property
Tfus	239.44	K	Relay (... Calculated Property
Vc	1.498	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1371.26; 1402.07]	J/mol×K	[1023.86; 1306.29]
Cp,gas	1371.26	J/mol×K	1023.86	Joback Calculated Property
Cp,gas	1385.11	J/mol×K	1070.93	Joback Calculated Property
Cp,gas	1394.92	J/mol×K	1118.00	Joback Calculated Property
Cp,gas	1400.60	J/mol×K	1165.08	Joback Calculated Property
Cp,gas	1402.07	J/mol×K	1212.15	Joback Calculated Property
Cp,gas	1399.25	J/mol×K	1259.22	Joback Calculated Property
Cp,gas	1392.04	J/mol×K	1306.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

Sources

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

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