Chemical Properties of Nonaeythylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C23H44O11/c1-3-4-25-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30-15-16-31-17-18-32-19-20-33-21-22-34-23(2)24/h3H,1,4-22H2,2H3

InChI Key

GICWSHFWSJFUEM-UHFFFAOYSA-N

Formula

C23H44O11

SMILES

C=CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

496.59

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.3417		Relay (1.0) Calculated Property
ΔfH°gas	-1849.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.11	kJ/mol	Joback Calculated Property
ΔvapH°	122.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-0.82		Relay (1.0) Calculated Property
logPoct/wat	0.885		Crippen Calculated Property
McVol	390.900	ml/mol	McGowan Calculated Property
Pc	801.60	kPa	Joback Calculated Property
Inp	[3130.00; 3139.00]
Inp	3136.00		NIST
Inp	3138.00		NIST
Inp	3135.00		NIST
Inp	3136.00		NIST
Inp	3138.00		NIST
Inp	3138.00		NIST
Inp	3139.00		NIST
Inp	3138.00		NIST
Inp	Outlier 3130.00		NIST
Inp	3136.00		NIST
Inp	3137.00		NIST
Inp	Outlier 3130.00		NIST
Inp	3136.00		NIST
Inp	3138.00		NIST
Inp	3137.00		NIST
Tboil	748.55	K	Relay (1.0) Calculated Property
Tc	877.12	K	Relay (1.0) Calculated Property
Tfus	213.23	K	Relay (1.0) Calculated Property
Vc	1.470	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.56; 1352.02]	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			2.33899e+02
Coefficient B			1.54522e+00
Coefficient C			-1.56700e-04
Coefficient D			-2.70400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	638.56	J/mol×K	273.00	Calculated Property
Cp,gas	748.98	J/mol×K	353.78	Calculated Property
Cp,gas	853.60	J/mol×K	434.56	Calculated Property
Cp,gas	951.58	J/mol×K	515.33	Calculated Property
Cp,gas	1042.06	J/mol×K	596.11	Calculated Property
Cp,gas	1124.18	J/mol×K	676.89	Calculated Property
Cp,gas	1197.10	J/mol×K	757.67	Calculated Property
Cp,gas	1259.94	J/mol×K	838.44	Calculated Property
Cp,gas	1311.87	J/mol×K	919.22	Calculated Property
Cp,gas	1352.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000410; 0.0000052]	Pa×s	[589.61; 855.68]	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			-1.67152e+01
Coefficient B			3.89949e+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.			589.61
Temperature range, max.			855.68
η	0.0000410	Pa×s	589.61	Calculated Property
η	0.0000299	Pa×s	619.17	Calculated Property
η	0.0000224	Pa×s	648.74	Calculated Property
η	0.0000173	Pa×s	678.30	Calculated Property
η	0.0000136	Pa×s	707.86	Calculated Property
η	0.0000109	Pa×s	737.43	Calculated Property
η	0.0000089	Pa×s	766.99	Calculated Property
η	0.0000074	Pa×s	796.55	Calculated Property
η	0.0000062	Pa×s	826.12	Calculated Property
η	0.0000052	Pa×s	855.68	Calculated Property

Similar Compounds

Find more compounds similar to Nonaeythylene glycol, monoallyl ether, acetate.

Sources

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

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