Chemical Properties of Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate (CAS 111-21-7)

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

CAS

111-21-7

Other Names

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

• 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).
• 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
ΔfG°	-644.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.77	kJ/mol	Joback Calculated Property
ΔfusH°	29.61	kJ/mol	Joback Calculated Property
ΔvapH°	60.99	kJ/mol	Joback Calculated Property
log10WS	0.09		Crippen Calculated Property
logPoct/wat	0.146		Crippen Calculated Property
McVol	178.380	ml/mol	McGowan Calculated Property
Pc	2224.99	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	625.62	K	Joback Calculated Property
Tc	804.43	K	Joback Calculated Property
Tfus	391.24	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[467.17; 536.90]	J/mol×K	[625.62; 804.43]
Cp,gas	467.17	J/mol×K	625.62	Joback Calculated Property
Cp,gas	480.17	J/mol×K	655.42	Joback Calculated Property
Cp,gas	492.64	J/mol×K	685.22	Joback Calculated Property
Cp,gas	504.57	J/mol×K	715.02	Joback Calculated Property
Cp,gas	515.93	J/mol×K	744.82	Joback Calculated Property
Cp,gas	526.72	J/mol×K	774.63	Joback Calculated Property
Cp,gas	536.90	J/mol×K	804.43	Joback Calculated Property
η	[0.0001171; 0.0009931]	Pa×s	[391.24; 625.62]
η	0.0009931	Pa×s	391.24	Joback Calculated Property
η	0.0005915	Pa×s	430.30	Joback Calculated Property
η	0.0003841	Pa×s	469.37	Joback Calculated Property
η	0.0002665	Pa×s	508.43	Joback Calculated Property
η	0.0001948	Pa×s	547.49	Joback Calculated Property
η	0.0001485	Pa×s	586.56	Joback Calculated Property
η	0.0001171	Pa×s	625.62	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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