Chemical Properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-Acetyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate

InChI

InChI=1S/C22H42O12/c1-21(23)33-19-17-31-15-13-29-11-9-27-7-5-25-3-4-26-6-8-28-10-12-30-14-16-32-18-20-34-22(2)24/h3-20H2,1-2H3

InChI Key

LJIHNOTXDOHMJC-UHFFFAOYSA-N

Formula

C22H42O12

SMILES

CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

498.56

Other Names

• Nonaethylene glycol, diacetate
• 28-Oxo-3,6,9,12,15,18,21,24,27-nonaoxanonacos-1-yl 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	1.3821		Relay (1.0) Calculated Property
ΔfG°	-1326.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-2101.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.98	kJ/mol	Joback Calculated Property
ΔvapH°	125.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-0.59		Relay (1.0) Calculated Property
logPoct/wat	0.245		Crippen Calculated Property
McVol	382.680	ml/mol	McGowan Calculated Property
Pc	837.24	kPa	Joback Calculated Property
Inp	[3175.00; 3200.00]
Inp	3191.00		NIST
Inp	3191.00		NIST
Inp	3190.00		NIST
Inp	3192.00		NIST
Inp	3194.00		NIST
Inp	3200.00		NIST
Inp	3190.00		NIST
Inp	3200.00		NIST
Inp	3192.00		NIST
Inp	3195.00		NIST
Inp	3190.00		NIST
Inp	3200.00		NIST
Inp	Outlier 3175.00		NIST
Inp	Outlier 3175.00		NIST
Inp	3191.00		NIST
Inp	3200.00		NIST
Inp	3190.00		NIST
Tboil	720.15	K	Relay (1.0) Calculated Property
Tc	872.57	K	Relay (1.0) Calculated Property
Tfus	237.70	K	Relay (1.0) Calculated Property
Vc	1.468	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.09; 1318.55]	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			2.37708e+02
Coefficient B			1.47864e+00
Coefficient C			-9.58000e-05
Coefficient D			-3.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	628.09	J/mol×K	273.00	Calculated Property
Cp,gas	735.46	J/mol×K	353.78	Calculated Property
Cp,gas	837.39	J/mol×K	434.56	Calculated Property
Cp,gas	932.93	J/mol×K	515.33	Calculated Property
Cp,gas	1021.13	J/mol×K	596.11	Calculated Property
Cp,gas	1101.03	J/mol×K	676.89	Calculated Property
Cp,gas	1171.68	J/mol×K	757.67	Calculated Property
Cp,gas	1232.12	J/mol×K	838.44	Calculated Property
Cp,gas	1281.39	J/mol×K	919.22	Calculated Property
Cp,gas	1318.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000396; 0.0000047]	Pa×s	[600.20; 870.40]	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			-1.70303e+01
Coefficient B			4.13812e+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.			600.20
Temperature range, max.			870.40
η	0.0000396	Pa×s	600.20	Calculated Property
η	0.0000285	Pa×s	630.22	Calculated Property
η	0.0000212	Pa×s	660.24	Calculated Property
η	0.0000161	Pa×s	690.27	Calculated Property
η	0.0000126	Pa×s	720.29	Calculated Property
η	0.0000100	Pa×s	750.31	Calculated Property
η	0.0000081	Pa×s	780.33	Calculated Property
η	0.0000066	Pa×s	810.35	Calculated Property
η	0.0000055	Pa×s	840.37	Calculated Property
η	0.0000047	Pa×s	870.40	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-[2-[2-[2-[2-[2-[2-(2-Acetyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate.

Sources

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

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