Chemical Properties of Diethylene glycol monoacetate (CAS 2093-20-1)

InChI

InChI=1S/C6H12O4/c1-6(8)10-5-4-9-3-2-7/h7H,2-5H2,1H3

InChI Key

XXXFZKQPYACQLD-UHFFFAOYSA-N

Formula

C6H12O4

SMILES

CC(=O)OCCOCCO

Molecular Weight¹

148.16

CAS

2093-20-1

Other Names

• 2-(2-Hydroxyethoxy)ethyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.7330		Relay (1.0) Calculated Property
ΔfG°	-552.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-784.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.94	kJ/mol	Joback Calculated Property
ΔvapH°	72.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	0.64		Relay (1.0) Calculated Property
logPoct/wat	-0.442		Crippen Calculated Property
McVol	114.580	ml/mol	McGowan Calculated Property
Pc	3403.91	kPa	Joback Calculated Property
Inp	[1121.00; 1121.00]
Inp	1121.00		NIST
Inp	1121.00		NIST
Tboil	505.48	K	Relay (1.0) Calculated Property
Tc	698.85	K	Relay (1.0) Calculated Property
Tfus	248.03	K	Relay (1.0) Calculated Property
Vc	0.428	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.01; 374.15]	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			5.36340e+01
Coefficient B			4.89820e-01
Coefficient C			-1.27400e-04
Coefficient D			-4.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.01	J/mol×K	273.00	Calculated Property
Cp,gas	209.12	J/mol×K	353.78	Calculated Property
Cp,gas	238.99	J/mol×K	434.56	Calculated Property
Cp,gas	266.49	J/mol×K	515.33	Calculated Property
Cp,gas	291.47	J/mol×K	596.11	Calculated Property
Cp,gas	313.82	J/mol×K	676.89	Calculated Property
Cp,gas	333.39	J/mol×K	757.67	Calculated Property
Cp,gas	350.06	J/mol×K	838.44	Calculated Property
Cp,gas	363.69	J/mol×K	919.22	Calculated Property
Cp,gas	374.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0159179; 0.0001885]	Pa×s	[282.76; 474.21]	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			-1.51277e+01
Coefficient B			3.10680e+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.			282.76
Temperature range, max.			474.21
η	0.0159179	Pa×s	282.76	Calculated Property
η	0.0073794	Pa×s	304.03	Calculated Property
η	0.0037829	Pa×s	325.30	Calculated Property
η	0.0021050	Pa×s	346.58	Calculated Property
η	0.0012535	Pa×s	367.85	Calculated Property
η	0.0007899	Pa×s	389.12	Calculated Property
η	0.0005222	Pa×s	410.39	Calculated Property
η	0.0003596	Pa×s	431.66	Calculated Property
η	0.0002565	Pa×s	452.94	Calculated Property
η	0.0001885	Pa×s	474.21	Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol monoacetate.

Sources

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

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