Chemical Properties of Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate

InChI

InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3

InChI Key

OVOUKWFJRHALDD-UHFFFAOYSA-N

Formula

C10H18O6

SMILES

CC(=O)OCCOCCOCCOC(C)=O

Molecular Weight¹

234.25

Other Names

• 2,2'-(Ethylenedioxy)di(ethyl acetate)
• 2,2'-[ethane-1,2-diylbis(oxy)]bisethyl diacetate
• 2-[2-(2-Acetyloxyethoxy)ethoxy]ethyl acetate
• Acetic acid, triethylene glycol diester
• Ethanol, 2,2'-ethylenedioxydi-, diacetate
• Ethylenebis-(2-oxyethyl acetate)
• TDAC
• Triethylene glycol, diacetate
• Triglycol diacetate

• 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	0.7685		Relay (1.0) Calculated Property
ΔfG°	-797.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1124.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.77	kJ/mol	Joback Calculated Property
ΔvapH°	82.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-0.39		Relay (1.0) Calculated Property
logPoct/wat	0.146		Crippen Calculated Property
McVol	178.380	ml/mol	McGowan Calculated Property
Pc	2062.36	kPa	Joback Calculated Property
Inp	[1548.00; 1558.00]
Inp	1548.00		NIST
Inp	1552.00		NIST
Inp	1558.00		NIST
Inp	1551.00		NIST
Inp	1551.00		NIST
Inp	1557.00		NIST
Inp	1555.00		NIST
Inp	1553.00		NIST
Inp	1552.00		NIST
Inp	1549.00		NIST
Inp	1549.00		NIST
Inp	1550.00		NIST
Inp	1555.90		NIST
Tboil	555.37	K	Relay (1.0) Calculated Property
Tc	712.46	K	Relay (1.0) Calculated Property
Tfus	223.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.10; 588.46]	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			9.56160e+01
Coefficient B			7.17840e-01
Coefficient C			-1.09000e-04
Coefficient D			-1.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.10	J/mol×K	273.00	Calculated Property
Cp,gas	330.79	J/mol×K	353.78	Calculated Property
Cp,gas	377.45	J/mol×K	434.56	Calculated Property
Cp,gas	420.72	J/mol×K	515.33	Calculated Property
Cp,gas	460.22	J/mol×K	596.11	Calculated Property
Cp,gas	495.60	J/mol×K	676.89	Calculated Property
Cp,gas	526.47	J/mol×K	757.67	Calculated Property
Cp,gas	552.49	J/mol×K	838.44	Calculated Property
Cp,gas	573.27	J/mol×K	919.22	Calculated Property
Cp,gas	588.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0559260; 0.0001471]	Pa×s	[223.15; 534.52]	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			-1.30816e+01
Coefficient B			2.27566e+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.			223.15
Temperature range, max.			534.52
η	0.0559260	Pa×s	223.15	Calculated Property
η	0.0142280	Pa×s	257.75	Calculated Property
η	0.0050046	Pa×s	292.34	Calculated Property
η	0.0021960	Pa×s	326.94	Calculated Property
η	0.0011282	Pa×s	361.53	Calculated Property
η	0.0006511	Pa×s	396.13	Calculated Property
η	0.0004104	Pa×s	430.73	Calculated Property
η	0.0002771	Pa×s	465.32	Calculated Property
η	0.0001975	Pa×s	499.92	Calculated Property
η	0.0001471	Pa×s	534.52	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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