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
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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1318.07; 1352.70]	J/mol×K	[998.76; 1243.42]
Cp,gas	1318.07	J/mol×K	998.76	Joback Calculated Property
Cp,gas	1332.03	J/mol×K	1039.54	Joback Calculated Property
Cp,gas	1342.53	J/mol×K	1080.31	Joback Calculated Property
Cp,gas	1349.46	J/mol×K	1121.09	Joback Calculated Property
Cp,gas	1352.70	J/mol×K	1161.87	Joback Calculated Property
Cp,gas	1352.11	J/mol×K	1202.65	Joback Calculated Property
Cp,gas	1347.58	J/mol×K	1243.42	Joback Calculated Property
η	[0.0000025; 0.0000396]	Pa×s	[600.20; 998.76]
η	0.0000396	Pa×s	600.20	Joback Calculated Property
η	0.0000199	Pa×s	666.63	Joback Calculated Property
η	0.0000114	Pa×s	733.05	Joback Calculated Property
η	0.0000071	Pa×s	799.48	Joback Calculated Property
η	0.0000048	Pa×s	865.91	Joback Calculated Property
η	0.0000034	Pa×s	932.33	Joback Calculated Property
η	0.0000025	Pa×s	998.76	Joback 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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