Chemical Properties of Diethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C9H16O4/c1-3-4-11-5-6-12-7-8-13-9(2)10/h3H,1,4-8H2,2H3

InChI Key

SIQNAPRKWIPLPE-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

C=CCOCCOCCOC(C)=O

Molecular Weight¹

188.22

• 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	0.6031		Relay (1.0) Calculated Property
ΔfH°gas	-694.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.53	kJ/mol	Joback Calculated Property
ΔvapH°	68.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-0.45		Relay (1.0) Calculated Property
logPoct/wat	0.769		Crippen Calculated Property
McVol	152.550	ml/mol	McGowan Calculated Property
Pc	2336.03	kPa	Joback Calculated Property
Inp	[1251.00; 1258.00]
Inp	1252.00		NIST
Inp	1258.00		NIST
Inp	1251.00		NIST
Inp	1253.00		NIST
Inp	1255.00		NIST
Inp	1252.00		NIST
Inp	1256.00		NIST
Inp	1256.00		NIST
Inp	1252.00		NIST
Inp	1253.00		NIST
Inp	1255.00		NIST
Inp	1258.00		NIST
Tboil	513.25	K	Relay (1.0) Calculated Property
Tc	678.74	K	Relay (1.0) Calculated Property
Tfus	220.79	K	Relay (1.0) Calculated Property
Vc	0.561	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	[233.74; 500.24]	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			6.81250e+01
Coefficient B			6.57620e-01
Coefficient C			-1.72100e-04
Coefficient D			-5.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.74	J/mol×K	273.00	Calculated Property
Cp,gas	276.87	J/mol×K	353.78	Calculated Property
Cp,gas	317.02	J/mol×K	434.56	Calculated Property
Cp,gas	354.01	J/mol×K	515.33	Calculated Property
Cp,gas	387.67	J/mol×K	596.11	Calculated Property
Cp,gas	417.85	J/mol×K	676.89	Calculated Property
Cp,gas	444.36	J/mol×K	757.67	Calculated Property
Cp,gas	467.04	J/mol×K	838.44	Calculated Property
Cp,gas	485.73	J/mol×K	919.22	Calculated Property
Cp,gas	500.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026150; 0.0001915]	Pa×s	[276.22; 474.75]	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			-1.21974e+01
Coefficient B			1.72662e+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.			276.22
Temperature range, max.			474.75
η	0.0026150	Pa×s	276.22	Calculated Property
η	0.0016471	Pa×s	298.28	Calculated Property
η	0.0011056	Pa×s	320.34	Calculated Property
η	0.0007812	Pa×s	342.40	Calculated Property
η	0.0005757	Pa×s	364.46	Calculated Property
η	0.0004393	Pa×s	386.52	Calculated Property
η	0.0003452	Pa×s	408.57	Calculated Property
η	0.0002780	Pa×s	430.63	Calculated Property
η	0.0002287	Pa×s	452.69	Calculated Property
η	0.0001915	Pa×s	474.75	Calculated Property

Similar Compounds

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

Sources

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

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