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

InChI

InChI=1S/C29H55F3O15/c1-34-2-3-35-4-5-36-6-7-37-8-9-38-10-11-39-12-13-40-14-15-41-16-17-42-18-19-43-20-21-44-22-23-45-24-25-46-26-27-47-28(33)29(30,31)32/h2-27H2,1H3

InChI Key

RCVSFCCTQRLGIT-UHFFFAOYSA-N

Formula

C29H55F3O15

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

700.73

Other Names

• Tridecaethylene glycol monomethyl ether, trifluoroacetate
• 3,6,9,12,15,18,21,24,27,30,33,36,39-Tridecaoxatetracont-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	1.7052		Relay (1.0) Calculated Property
ΔfG°	-1987.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-3114.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	90.92	kJ/mol	Joback Calculated Property
ΔvapH°	136.52	kJ/mol	Relay (1.0) Calculated Property
IE	10.31	eV	Relay (1.0) Calculated Property
log10WS	-0.58		Relay (1.0) Calculated Property
logPoct/wat	0.938		Crippen Calculated Property
McVol	508.530	ml/mol	McGowan Calculated Property
Pc	542.60	kPa	Joback Calculated Property
Inp	[3802.30; 3802.30]
Inp	3802.30		NIST
Inp	3802.30		NIST
Tboil	806.24	K	Relay (1.0) Calculated Property
Tc	874.71	K	Relay (1.0) Calculated Property
Tfus	190.37	K	Relay (1.0) Calculated Property
Vc	1.915	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1350.54; 1840.15]	J/mol×K	[1225.25; 1740.97]
Cp,gas	1840.15	J/mol×K	1225.25	Joback Calculated Property
Cp,gas	1821.89	J/mol×K	1311.20	Joback Calculated Property
Cp,gas	1780.09	J/mol×K	1397.16	Joback Calculated Property
Cp,gas	1713.40	J/mol×K	1483.11	Joback Calculated Property
Cp,gas	1620.48	J/mol×K	1569.06	Joback Calculated Property
Cp,gas	1499.98	J/mol×K	1655.01	Joback Calculated Property
Cp,gas	1350.54	J/mol×K	1740.97	Joback Calculated Property

Similar Compounds

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

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