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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.84; 546.42]	J/mol×K	[573.44; 743.50]
Cp,gas	469.84	J/mol×K	573.44	Joback Calculated Property
Cp,gas	483.94	J/mol×K	601.78	Joback Calculated Property
Cp,gas	497.51	J/mol×K	630.13	Joback Calculated Property
Cp,gas	510.56	J/mol×K	658.47	Joback Calculated Property
Cp,gas	523.07	J/mol×K	686.82	Joback Calculated Property
Cp,gas	535.03	J/mol×K	715.16	Joback Calculated Property
Cp,gas	546.42	J/mol×K	743.50	Joback Calculated Property
η	[0.0000992; 0.0016206]	Pa×s	[320.99; 573.44]
η	0.0016206	Pa×s	320.99	Joback Calculated Property
η	0.0007767	Pa×s	363.06	Joback Calculated Property
η	0.0004337	Pa×s	405.14	Joback Calculated Property
η	0.0002703	Pa×s	447.21	Joback Calculated Property
η	0.0001827	Pa×s	489.29	Joback Calculated Property
η	0.0001314	Pa×s	531.37	Joback Calculated Property
η	0.0000992	Pa×s	573.44	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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