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

InChI

InChI=1S/C13H23F3O7/c1-18-2-3-19-4-5-20-6-7-21-8-9-22-10-11-23-12(17)13(14,15)16/h2-11H2,1H3

InChI Key

RQIOLDBBMAMLIH-UHFFFAOYSA-N

Formula

C13H23F3O7

SMILES

COCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

348.31

Other Names

• 3,6,9,12,15-Heptaoxahexadec-1-yl trifluoroacetate
• Pentaethylene glycol monomethyl ether, 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	-1823.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.98	kJ/mol	Joback Calculated Property
ΔvapH°	81.41	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-0.26		Relay (1.0) Calculated Property
logPoct/wat	0.805		Crippen Calculated Property
McVol	236.130	ml/mol	McGowan Calculated Property
Pc	1455.68	kPa	Joback Calculated Property
Inp	[1729.70; 1729.70]
Inp	1729.70		NIST
Inp	1729.70		NIST
Tboil	571.03	K	Relay (1.0) Calculated Property
Tc	688.55	K	Relay (1.0) Calculated Property
Tfus	228.03	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[685.44; 762.65]	J/mol×K	[679.81; 842.72]
Cp,gas	685.44	J/mol×K	679.81	Joback Calculated Property
Cp,gas	699.98	J/mol×K	706.96	Joback Calculated Property
Cp,gas	713.88	J/mol×K	734.11	Joback Calculated Property
Cp,gas	727.10	J/mol×K	761.26	Joback Calculated Property
Cp,gas	739.65	J/mol×K	788.42	Joback Calculated Property
Cp,gas	751.50	J/mol×K	815.57	Joback Calculated Property
Cp,gas	762.65	J/mol×K	842.72	Joback Calculated Property

Similar Compounds

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