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

InChI

InChI=1S/C23H43F3O12/c1-28-2-3-29-4-5-30-6-7-31-8-9-32-10-11-33-12-13-34-14-15-35-16-17-36-18-19-37-20-21-38-22(27)23(24,25)26/h2-21H2,1H3

InChI Key

WHXCJMFLLFSYFF-UHFFFAOYSA-N

Formula

C23H43F3O12

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

568.58

Other Names

• Decaethylene glycol monomethyl ether, trifluoroacetate
• 3,6,9,12,15,18,21,24,27,30-Decaoxahentriacont-1-yl trifluoroacetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2631.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.40	kJ/mol	Joback Calculated Property
ΔvapH°	117.33	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-0.52		Relay (1.0) Calculated Property
logPoct/wat	0.888		Crippen Calculated Property
McVol	406.380	ml/mol	McGowan Calculated Property
Pc	727.70	kPa	Joback Calculated Property
Inp	[3023.20; 3023.20]
Inp	3023.20		NIST
Inp	3023.20		NIST
Tboil	728.00	K	Relay (1.0) Calculated Property
Tc	816.89	K	Relay (1.0) Calculated Property
Tfus	207.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.91; 1421.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.56190e+02
Coefficient B			1.66322e+00
Coefficient C			-2.43800e-04
Coefficient D			-2.53900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	686.91	J/mol×K	273.00	Calculated Property
Cp,gas	802.84	J/mol×K	353.78	Calculated Property
Cp,gas	912.08	J/mol×K	434.56	Calculated Property
Cp,gas	1013.81	J/mol×K	515.33	Calculated Property
Cp,gas	1107.24	J/mol×K	596.11	Calculated Property
Cp,gas	1191.56	J/mol×K	676.89	Calculated Property
Cp,gas	1265.97	J/mol×K	757.67	Calculated Property
Cp,gas	1329.67	J/mol×K	838.44	Calculated Property
Cp,gas	1381.85	J/mol×K	919.22	Calculated Property
Cp,gas	1421.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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