Chemical Properties of 2-[2-(2-{2-[2-(2-Diethylamino-ethox y)-ethoxy]-ethoxy}-ethoxy)-ethoxy]- ethanol

InChI

InChI=1S/C16H35NO6/c1-3-17(4-2)5-7-19-9-11-21-13-15-23-16-14-22-12-10-20-8-6-18/h18H,3-16H2,1-2H3

InChI Key

KSYRBVXNNJDTLA-UHFFFAOYSA-N

Formula

C16H35NO6

SMILES

CCN(CC)CCOCCOCCOCCOCCOCCO

Molecular Weight¹

337.45

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1106.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.24	kJ/mol	Joback Calculated Property
ΔvapH°	101.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	0.27		Relay (1.0) Calculated Property
logPoct/wat	0.404		Crippen Calculated Property
McVol	281.500	ml/mol	McGowan Calculated Property
Pc	1323.28	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	651.83	K	Relay (1.0) Calculated Property
Tc	818.34	K	Relay (1.0) Calculated Property
Tfus	227.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.93; 993.98]	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			1.10444e+02
Coefficient B			1.36574e+00
Coefficient C			-4.34600e-04
Coefficient D			-4.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	449.93	J/mol×K	273.00	Calculated Property
Cp,gas	537.11	J/mol×K	353.78	Calculated Property
Cp,gas	617.96	J/mol×K	434.56	Calculated Property
Cp,gas	692.32	J/mol×K	515.33	Calculated Property
Cp,gas	760.06	J/mol×K	596.11	Calculated Property
Cp,gas	821.01	J/mol×K	676.89	Calculated Property
Cp,gas	875.03	J/mol×K	757.67	Calculated Property
Cp,gas	921.97	J/mol×K	838.44	Calculated Property
Cp,gas	961.67	J/mol×K	919.22	Calculated Property
Cp,gas	993.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-(2-{2-[2-(2-Diethylamino-ethox y)-ethoxy]-ethoxy}-ethoxy)-ethoxy]- ethanol.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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