Chemical Properties of 3,6,9,12-Tetraoxahexadecan-1-ol

InChI

InChI=1S/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3

InChI Key

MXVMODFDROLTFD-UHFFFAOYSA-N

Formula

C12H26O5

SMILES

CCCCOCCOCCOCCOCCO

Molecular Weight¹

250.34

Other Names

• Tetraethylene glycol, monobutyl ether
• 2-(2-(2-Butoxy-ethoxy)-ethoxy)-ethoxy)ethanol
• 2-[2-[2-(2-Butoxyethoxy)ethoxy]ethoxy]ethanol
• Tetraethylene glycol, butyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9726		Relay (1.0) Calculated Property
ΔfG°	-506.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-958.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.68	kJ/mol	Joback Calculated Property
ΔvapH°	88.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-0.62		Relay (1.0) Calculated Property
logPoct/wat	0.845		Crippen Calculated Property
McVol	209.290	ml/mol	McGowan Calculated Property
Pc	1816.95	kPa	Joback Calculated Property
Inp	[1744.00; 1751.90]
Inp	1744.00		NIST
Inp	1751.90		NIST
Inp	1744.00		NIST
Tboil	596.64	K	Relay (1.0) Calculated Property
Tc	764.05	K	Relay (1.0) Calculated Property
Tfus	234.67	K	Relay (1.0) Calculated Property
Vc	0.808	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.16; 731.09]	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			9.92710e+01
Coefficient B			9.25020e-01
Coefficient C			-2.15400e-04
Coefficient D			-7.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.16	J/mol×K	273.00	Calculated Property
Cp,gas	396.12	J/mol×K	353.78	Calculated Property
Cp,gas	454.18	J/mol×K	434.56	Calculated Property
Cp,gas	508.11	J/mol×K	515.33	Calculated Property
Cp,gas	557.66	J/mol×K	596.11	Calculated Property
Cp,gas	602.59	J/mol×K	676.89	Calculated Property
Cp,gas	642.64	J/mol×K	757.67	Calculated Property
Cp,gas	677.57	J/mol×K	838.44	Calculated Property
Cp,gas	707.14	J/mol×K	919.22	Calculated Property
Cp,gas	731.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015764; 0.0000548]	Pa×s	[374.74; 572.16]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.61882e+01
Coefficient B			3.64831e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			374.74
Temperature range, max.			572.16
η	0.0015764	Pa×s	374.74	Calculated Property
η	0.0009201	Pa×s	396.68	Calculated Property
η	0.0005683	Pa×s	418.61	Calculated Property
η	0.0003682	Pa×s	440.55	Calculated Property
η	0.0002486	Pa×s	462.48	Calculated Property
η	0.0001739	Pa×s	484.42	Calculated Property
η	0.0001255	Pa×s	506.35	Calculated Property
η	0.0000931	Pa×s	528.29	Calculated Property
η	0.0000707	Pa×s	550.22	Calculated Property
η	0.0000548	Pa×s	572.16	Calculated Property

Similar Compounds

Find more compounds similar to 3,6,9,12-Tetraoxahexadecan-1-ol.

Sources

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

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