Chemical Properties of Octaethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C21H40O10/c1-3-4-23-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-15-16-29-17-18-30-19-20-31-21(2)22/h3H,1,4-20H2,2H3

InChI Key

OMXAJRNUFKQGLL-UHFFFAOYSA-N

Formula

C21H40O10

SMILES

C=CCOCCOCCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

452.54

• 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	1.2404		Relay (1.0) Calculated Property
ΔfH°gas	-1686.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.74	kJ/mol	Joback Calculated Property
ΔvapH°	115.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-0.80		Relay (1.0) Calculated Property
logPoct/wat	0.868		Crippen Calculated Property
McVol	356.850	ml/mol	McGowan Calculated Property
Pc	905.61	kPa	Joback Calculated Property
Inp	[2873.00; 2881.00]
Inp	2877.00		NIST
Inp	2881.00		NIST
Inp	2876.00		NIST
Inp	2878.00		NIST
Inp	2878.00		NIST
Inp	2879.00		NIST
Inp	2881.00		NIST
Inp	2878.00		NIST
Inp	Outlier 2873.00		NIST
Inp	2879.00		NIST
Inp	2875.00		NIST
Inp	2879.00		NIST
Inp	2877.00		NIST
Inp	2879.00		NIST
Inp	2875.00		NIST
Tboil	722.97	K	Relay (1.0) Calculated Property
Tc	854.68	K	Relay (1.0) Calculated Property
Tfus	218.56	K	Relay (1.0) Calculated Property
Vc	1.342	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	[580.73; 1230.34]	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			2.10217e+02
Coefficient B			1.41842e+00
Coefficient C			-1.58900e-04
Coefficient D			-2.39400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	580.73	J/mol×K	273.00	Calculated Property
Cp,gas	681.53	J/mol×K	353.78	Calculated Property
Cp,gas	776.95	J/mol×K	434.56	Calculated Property
Cp,gas	866.21	J/mol×K	515.33	Calculated Property
Cp,gas	948.58	J/mol×K	596.11	Calculated Property
Cp,gas	1023.28	J/mol×K	676.89	Calculated Property
Cp,gas	1089.56	J/mol×K	757.67	Calculated Property
Cp,gas	1146.67	J/mol×K	838.44	Calculated Property
Cp,gas	1193.85	J/mol×K	919.22	Calculated Property
Cp,gas	1230.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000797; 0.0000105]	Pa×s	[544.84; 787.01]	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			-1.60241e+01
Coefficient B			3.58908e+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.			544.84
Temperature range, max.			787.01
η	0.0000797	Pa×s	544.84	Calculated Property
η	0.0000585	Pa×s	571.75	Calculated Property
η	0.0000441	Pa×s	598.66	Calculated Property
η	0.0000341	Pa×s	625.56	Calculated Property
η	0.0000269	Pa×s	652.47	Calculated Property
η	0.0000216	Pa×s	679.38	Calculated Property
η	0.0000177	Pa×s	706.29	Calculated Property
η	0.0000147	Pa×s	733.19	Calculated Property
η	0.0000123	Pa×s	760.10	Calculated Property
η	0.0000105	Pa×s	787.01	Calculated Property

Similar Compounds

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

Sources

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

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