Chemical Properties of 2-(2-(2-(2-decyloxy-ethoxy)-ethoxy)-ethoxy)-ethanol, TFA

InChI

InChI=1S/C20H37F3O6/c1-2-3-4-5-6-7-8-9-10-25-11-12-26-13-14-27-15-16-28-17-18-29-19(24)20(21,22)23/h2-18H2,1H3

InChI Key

WWXQGPIMGLCDEB-UHFFFAOYSA-N

Formula

C20H37F3O6

SMILES

CCCCCCCCCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

430.50

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0937		Relay (1.0) Calculated Property
ΔfH°gas	-1842.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.50	kJ/mol	Joback Calculated Property
ΔvapH°	103.37	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-4.09		Relay (1.0) Calculated Property
logPoct/wat	4.299		Crippen Calculated Property
McVol	328.890	ml/mol	McGowan Calculated Property
Pc	908.89	kPa	Joback Calculated Property
Inp	[2326.00; 2326.00]
Inp	2326.00		NIST
Inp	2326.00		NIST
Tboil	627.39	K	Relay (1.0) Calculated Property
Tc	742.75	K	Relay (1.0) Calculated Property
Tfus	242.74	K	Relay (1.0) Calculated Property
Vc	1.255	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.85; 1155.94]	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			1.05917e+02
Coefficient B			1.75742e+00
Coefficient C			-7.46600e-04
Coefficient D			3.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	530.85	J/mol×K	273.00	Calculated Property
Cp,gas	635.95	J/mol×K	353.78	Calculated Property
Cp,gas	731.84	J/mol×K	434.56	Calculated Property
Cp,gas	818.67	J/mol×K	515.33	Calculated Property
Cp,gas	896.54	J/mol×K	596.11	Calculated Property
Cp,gas	965.58	J/mol×K	676.89	Calculated Property
Cp,gas	1025.91	J/mol×K	757.67	Calculated Property
Cp,gas	1077.67	J/mol×K	838.44	Calculated Property
Cp,gas	1120.97	J/mol×K	919.22	Calculated Property
Cp,gas	1155.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-(2-(2-decyloxy-ethoxy)-ethoxy)-ethoxy)-ethanol, TFA.

Sources

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

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