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

InChI

InChI=1S/C16H29F3O7/c1-2-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-13-14-26-15(20)16(17,18)19/h2-14H2,1H3

InChI Key

DMZIVFFCOLMBTC-UHFFFAOYSA-N

Formula

C16H29F3O7

SMILES

CCCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

390.39

Other Names

• Pentaethylene glycol monobutyl ether, trifluoroacetate
• 3,6,9,12,15-Pentaoxanonadec-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	0.9854		Relay (1.0) Calculated Property
ΔfG°	-1333.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1891.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.33	kJ/mol	Joback Calculated Property
ΔvapH°	88.51	kJ/mol	Relay (1.0) Calculated Property
IE	10.22	eV	Relay (1.0) Calculated Property
log10WS	-1.52		Relay (1.0) Calculated Property
logPoct/wat	1.975		Crippen Calculated Property
McVol	278.400	ml/mol	McGowan Calculated Property
Pc	1149.10	kPa	Joback Calculated Property
Inp	[1959.30; 2002.00]
Inp	2002.00		NIST
Inp	1959.30		NIST
Inp	2002.00		NIST
Inp	1959.30		NIST
Tboil	599.22	K	Relay (1.0) Calculated Property
Tc	707.49	K	Relay (1.0) Calculated Property
Tfus	211.91	K	Relay (1.0) Calculated Property
Vc	1.060	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.45; 932.07]	J/mol×K	[730.58; 897.25]
Cp,gas	847.45	J/mol×K	730.58	Joback Calculated Property
Cp,gas	863.74	J/mol×K	758.36	Joback Calculated Property
Cp,gas	879.18	J/mol×K	786.14	Joback Calculated Property
Cp,gas	893.73	J/mol×K	813.91	Joback Calculated Property
Cp,gas	907.41	J/mol×K	841.69	Joback Calculated Property
Cp,gas	920.19	J/mol×K	869.47	Joback Calculated Property
Cp,gas	932.07	J/mol×K	897.25	Joback Calculated Property

Similar Compounds

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