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

InChI

InChI=1S/C22H41F3O7/c1-2-3-4-5-6-7-8-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20-32-21(26)22(23,24)25/h2-20H2,1H3

InChI Key

WALCZMCTSWITIL-UHFFFAOYSA-N

Formula

C22H41F3O7

SMILES

CCCCCCCCCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

474.55

• 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	1.1987		Relay (1.0) Calculated Property
ΔfH°gas	-2005.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.29	kJ/mol	Joback Calculated Property
ΔvapH°	110.83	kJ/mol	Relay (1.0) Calculated Property
IE	10.17	eV	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	4.316		Crippen Calculated Property
McVol	362.940	ml/mol	McGowan Calculated Property
Pc	823.37	kPa	Joback Calculated Property
Inp	[2597.00; 2597.00]
Inp	2597.00		NIST
Inp	2597.00		NIST
Tboil	657.90	K	Relay (1.0) Calculated Property
Tc	768.14	K	Relay (1.0) Calculated Property
Tfus	239.02	K	Relay (1.0) Calculated Property
Vc	1.383	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1218.27; 1310.60]	J/mol×K	[885.73; 1090.83]
Cp,gas	1218.27	J/mol×K	885.73	Joback Calculated Property
Cp,gas	1237.78	J/mol×K	919.91	Joback Calculated Property
Cp,gas	1255.64	J/mol×K	954.10	Joback Calculated Property
Cp,gas	1271.85	J/mol×K	988.28	Joback Calculated Property
Cp,gas	1286.41	J/mol×K	1022.47	Joback Calculated Property
Cp,gas	1299.33	J/mol×K	1056.65	Joback Calculated Property
Cp,gas	1310.60	J/mol×K	1090.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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