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

InChI

InChI=1S/C16H29F3O4/c1-2-3-4-5-6-7-8-9-10-21-11-12-22-13-14-23-15(20)16(17,18)19/h2-14H2,1H3

InChI Key

ADQUVHVEPVEJTQ-UHFFFAOYSA-N

Formula

C16H29F3O4

SMILES

CCCCCCCCCCOCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

342.39

• 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	0.8822		Relay (1.0) Calculated Property
ΔfH°gas	-1514.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.19	kJ/mol	Joback Calculated Property
ΔvapH°	85.86	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-4.07		Relay (1.0) Calculated Property
logPoct/wat	4.266		Crippen Calculated Property
McVol	260.790	ml/mol	McGowan Calculated Property
Pc	1224.27	kPa	Joback Calculated Property
Inp	[1804.30; 1804.30]
Inp	1804.30		NIST
Inp	1804.30		NIST
Tboil	560.45	K	Relay (1.0) Calculated Property
Tc	678.33	K	Relay (1.0) Calculated Property
Tfus	247.44	K	Relay (1.0) Calculated Property
Vc	0.994	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	[763.26; 850.94]	J/mol×K	[681.19; 843.15]
Cp,gas	763.26	J/mol×K	681.19	Joback Calculated Property
Cp,gas	779.71	J/mol×K	708.18	Joback Calculated Property
Cp,gas	795.42	J/mol×K	735.18	Joback Calculated Property
Cp,gas	810.38	J/mol×K	762.17	Joback Calculated Property
Cp,gas	824.61	J/mol×K	789.16	Joback Calculated Property
Cp,gas	838.13	J/mol×K	816.15	Joback Calculated Property
Cp,gas	850.94	J/mol×K	843.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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