Chemical Properties of Hexaethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C17H32O8/c1-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13-14-24-15-16-25-17(2)18/h3H,1,4-16H2,2H3

InChI Key

MVWRFKHGSQZHQW-UHFFFAOYSA-N

Formula

C17H32O8

SMILES

C=CCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

364.43

• 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	1.0357		Relay (1.0) Calculated Property
ΔfH°gas	-1359.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.00	kJ/mol	Joback Calculated Property
ΔvapH°	100.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-0.75		Relay (1.0) Calculated Property
logPoct/wat	0.835		Crippen Calculated Property
McVol	288.750	ml/mol	McGowan Calculated Property
Pc	1184.97	kPa	Joback Calculated Property
Inp	[2338.00; 2349.00]
Inp	2342.00		NIST
Inp	Outlier 2349.00		NIST
Inp	2342.00		NIST
Inp	2344.00		NIST
Inp	2341.00		NIST
Inp	2343.00		NIST
Inp	2344.00		NIST
Inp	2345.00		NIST
Inp	2339.00		NIST
Inp	2344.00		NIST
Inp	2345.00		NIST
Inp	2338.00		NIST
Tboil	669.06	K	Relay (1.0) Calculated Property
Tc	807.65	K	Relay (1.0) Calculated Property
Tfus	226.02	K	Relay (1.0) Calculated Property
Vc	1.085	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	[465.07; 986.97]	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			1.62853e+02
Coefficient B			1.16482e+00
Coefficient C			-1.63300e-04
Coefficient D			-1.77400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	465.07	J/mol×K	273.00	Calculated Property
Cp,gas	546.65	J/mol×K	353.78	Calculated Property
Cp,gas	623.64	J/mol×K	434.56	Calculated Property
Cp,gas	695.48	J/mol×K	515.33	Calculated Property
Cp,gas	761.61	J/mol×K	596.11	Calculated Property
Cp,gas	821.47	J/mol×K	676.89	Calculated Property
Cp,gas	874.50	J/mol×K	757.67	Calculated Property
Cp,gas	920.13	J/mol×K	838.44	Calculated Property
Cp,gas	957.81	J/mol×K	919.22	Calculated Property
Cp,gas	986.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002878; 0.0000359]	Pa×s	[455.30; 668.74]	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			-1.46727e+01
Coefficient B			2.96826e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			455.30
Temperature range, max.			668.74
η	0.0002878	Pa×s	455.30	Calculated Property
η	0.0002084	Pa×s	479.02	Calculated Property
η	0.0001556	Pa×s	502.73	Calculated Property
η	0.0001192	Pa×s	526.45	Calculated Property
η	0.0000935	Pa×s	550.16	Calculated Property
η	0.0000748	Pa×s	573.88	Calculated Property
η	0.0000609	Pa×s	597.59	Calculated Property
η	0.0000504	Pa×s	621.31	Calculated Property
η	0.0000423	Pa×s	645.02	Calculated Property
η	0.0000359	Pa×s	668.74	Calculated Property

Similar Compounds

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

Sources

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

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