Chemical Properties of Triethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C11H20O5/c1-3-4-13-5-6-14-7-8-15-9-10-16-11(2)12/h3H,1,4-10H2,2H3

InChI Key

MHLDUOGECSISSO-UHFFFAOYSA-N

Formula

C11H20O5

SMILES

C=CCOCCOCCOCCOC(C)=O

Molecular Weight¹

232.28

• 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	0.7167		Relay (1.0) Calculated Property
ΔfH°gas	-862.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	77.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-0.55		Relay (1.0) Calculated Property
logPoct/wat	0.785		Crippen Calculated Property
McVol	186.600	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
Inp	[1522.00; 1531.00]
Inp	1529.00		NIST
Inp	1524.00		NIST
Inp	1527.00		NIST
Inp	1531.00		NIST
Inp	1527.00		NIST
Inp	1529.00		NIST
Inp	1530.00		NIST
Inp	1530.00		NIST
Inp	1524.00		NIST
Inp	1526.00		NIST
Inp	1526.00		NIST
Inp	Outlier 1522.00		NIST
Inp	1529.00		NIST
Inp	1526.00		NIST
Tboil	563.66	K	Relay (1.0) Calculated Property
Tc	719.06	K	Relay (1.0) Calculated Property
Tfus	227.63	K	Relay (1.0) Calculated Property
Vc	0.694	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	[291.57; 621.93]	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			9.18070e+01
Coefficient B			7.84420e-01
Coefficient C			-1.69900e-04
Coefficient D			-8.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.57	J/mol×K	273.00	Calculated Property
Cp,gas	344.32	J/mol×K	353.78	Calculated Property
Cp,gas	393.67	J/mol×K	434.56	Calculated Property
Cp,gas	439.37	J/mol×K	515.33	Calculated Property
Cp,gas	481.16	J/mol×K	596.11	Calculated Property
Cp,gas	518.75	J/mol×K	676.89	Calculated Property
Cp,gas	551.89	J/mol×K	757.67	Calculated Property
Cp,gas	580.31	J/mol×K	838.44	Calculated Property
Cp,gas	603.75	J/mol×K	919.22	Calculated Property
Cp,gas	621.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016206; 0.0001424]	Pa×s	[320.99; 520.45]	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			-1.27711e+01
Coefficient B			2.03703e+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.			320.99
Temperature range, max.			520.45
η	0.0016206	Pa×s	320.99	Calculated Property
η	0.0010756	Pa×s	343.15	Calculated Property
η	0.0007503	Pa×s	365.32	Calculated Property
η	0.0005454	Pa×s	387.48	Calculated Property
η	0.0004104	Pa×s	409.64	Calculated Property
η	0.0003180	Pa×s	431.80	Calculated Property
η	0.0002526	Pa×s	453.97	Calculated Property
η	0.0002049	Pa×s	476.13	Calculated Property
η	0.0001694	Pa×s	498.29	Calculated Property
η	0.0001424	Pa×s	520.45	Calculated Property

Similar Compounds

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

Sources

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

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