Chemical Properties of Tetraethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C13H24O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19-13(2)14/h3H,1,4-12H2,2H3

InChI Key

VDTCQMRHLAJIRL-UHFFFAOYSA-N

Formula

C13H24O6

SMILES

C=CCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

276.33

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8258		Relay (1.0) Calculated Property
ΔfH°gas	-1029.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.27	kJ/mol	Joback Calculated Property
ΔvapH°	85.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-0.66		Relay (1.0) Calculated Property
logPoct/wat	0.802		Crippen Calculated Property
McVol	220.650	ml/mol	McGowan Calculated Property
Pc	1616.77	kPa	Joback Calculated Property
Inp	[1799.00; 1806.00]
Inp	1805.00		NIST
Inp	1803.00		NIST
Inp	1803.00		NIST
Inp	1800.00		NIST
Inp	1802.00		NIST
Inp	1804.00		NIST
Inp	1802.00		NIST
Inp	1806.00		NIST
Inp	1800.00		NIST
Inp	1800.00		NIST
Inp	1799.00		NIST
Inp	1800.00		NIST
Inp	1805.00		NIST
Inp	1804.00		NIST
Inp	1799.00		NIST
Tboil	603.84	K	Relay (1.0) Calculated Property
Tc	752.45	K	Relay (1.0) Calculated Property
Tfus	229.16	K	Relay (1.0) Calculated Property
Vc	0.826	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	[349.41; 743.61]	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			1.15489e+02
Coefficient B			9.11220e-01
Coefficient C			-1.67700e-04
Coefficient D			-1.15400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.41	J/mol×K	273.00	Calculated Property
Cp,gas	411.76	J/mol×K	353.78	Calculated Property
Cp,gas	470.33	J/mol×K	434.56	Calculated Property
Cp,gas	524.74	J/mol×K	515.33	Calculated Property
Cp,gas	574.64	J/mol×K	596.11	Calculated Property
Cp,gas	619.66	J/mol×K	676.89	Calculated Property
Cp,gas	659.43	J/mol×K	757.67	Calculated Property
Cp,gas	693.59	J/mol×K	838.44	Calculated Property
Cp,gas	721.77	J/mol×K	919.22	Calculated Property
Cp,gas	743.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009458; 0.0000967]	Pa×s	[365.76; 567.38]	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			-1.33814e+01
Coefficient B			2.34744e+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.			365.76
Temperature range, max.			567.38
η	0.0009458	Pa×s	365.76	Calculated Property
η	0.0006531	Pa×s	388.16	Calculated Property
η	0.0004695	Pa×s	410.57	Calculated Property
η	0.0003493	Pa×s	432.97	Calculated Property
η	0.0002675	Pa×s	455.37	Calculated Property
η	0.0002101	Pa×s	477.77	Calculated Property
η	0.0001686	Pa×s	500.18	Calculated Property
η	0.0001378	Pa×s	522.58	Calculated Property
η	0.0001146	Pa×s	544.98	Calculated Property
η	0.0000967	Pa×s	567.38	Calculated Property

Similar Compounds

Find more compounds similar to Tetraethylene glycol, monoallyl ether, acetate.

Sources

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

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