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

InChI

InChI=1S/C12H24O5/c1-3-4-5-14-6-7-15-8-9-16-10-11-17-12(2)13/h3-11H2,1-2H3

InChI Key

SGQLKNKVOZVAAY-UHFFFAOYSA-N

Formula

C12H24O5

SMILES

CCCCOCCOCCOCCOC(C)=O

Molecular Weight¹

248.32

Other Names

• Triethylene glycol monobutyl ether, acetate
• 3,6,9-Trioxatridec-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	0.7939		Relay (1.0) Calculated Property
ΔfG°	-575.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-985.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.77	kJ/mol	Joback Calculated Property
ΔvapH°	81.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-1.17		Relay (1.0) Calculated Property
logPoct/wat	1.399		Crippen Calculated Property
McVol	204.990	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[1627.30; 1690.00]
Inp	1690.00		NIST
Inp	1627.30		NIST
Inp	1627.30		NIST
Tboil	561.65	K	Relay (1.0) Calculated Property
Tc	721.26	K	Relay (1.0) Calculated Property
Tfus	220.62	K	Relay (1.0) Calculated Property
Vc	0.791	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.60; 702.03]	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			9.38890e+01
Coefficient B			8.99440e-01
Coefficient C			-2.01400e-04
Coefficient D			-8.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.60	J/mol×K	273.00	Calculated Property
Cp,gas	382.90	J/mol×K	353.78	Calculated Property
Cp,gas	439.34	J/mol×K	434.56	Calculated Property
Cp,gas	491.61	J/mol×K	515.33	Calculated Property
Cp,gas	539.44	J/mol×K	596.11	Calculated Property
Cp,gas	582.55	J/mol×K	676.89	Calculated Property
Cp,gas	620.65	J/mol×K	757.67	Calculated Property
Cp,gas	653.45	J/mol×K	838.44	Calculated Property
Cp,gas	680.67	J/mol×K	919.22	Calculated Property
Cp,gas	702.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015573; 0.0001302]	Pa×s	[334.02; 536.54]	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			-1.30403e+01
Coefficient B			2.19635e+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.			334.02
Temperature range, max.			536.54
η	0.0015573	Pa×s	334.02	Calculated Property
η	0.0010283	Pa×s	356.52	Calculated Property
η	0.0007133	Pa×s	379.02	Calculated Property
η	0.0005155	Pa×s	401.53	Calculated Property
η	0.0003857	Pa×s	424.03	Calculated Property
η	0.0002971	Pa×s	446.53	Calculated Property
η	0.0002346	Pa×s	469.03	Calculated Property
η	0.0001893	Pa×s	491.54	Calculated Property
η	0.0001557	Pa×s	514.04	Calculated Property
η	0.0001302	Pa×s	536.54	Calculated Property

Similar Compounds

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

Sources

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

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