Chemical Properties of Heptaethylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C19H36O9/c1-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-13-14-26-15-16-27-17-18-28-19(2)20/h3H,1,4-18H2,2H3

InChI Key

FLLOYRCLEPGBHR-UHFFFAOYSA-N

Formula

C19H36O9

SMILES

C=CCOCCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

408.48

• 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	1.1384		Relay (1.0) Calculated Property
ΔfH°gas	-1522.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.37	kJ/mol	Joback Calculated Property
ΔvapH°	108.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-0.78		Relay (1.0) Calculated Property
logPoct/wat	0.852		Crippen Calculated Property
McVol	322.800	ml/mol	McGowan Calculated Property
Pc	1031.25	kPa	Joback Calculated Property
Inp	[2597.00; 2604.00]
Inp	2600.00		NIST
Inp	2602.00		NIST
Inp	Outlier 2604.00		NIST
Inp	2600.00		NIST
Inp	2600.00		NIST
Inp	2598.00		NIST
Inp	2602.00		NIST
Inp	2597.00		NIST
Inp	2598.00		NIST
Inp	2600.00		NIST
Inp	2601.00		NIST
Inp	2599.00		NIST
Tboil	696.55	K	Relay (1.0) Calculated Property
Tc	831.76	K	Relay (1.0) Calculated Property
Tfus	222.71	K	Relay (1.0) Calculated Property
Vc	1.214	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	[522.90; 1108.65]	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			1.86535e+02
Coefficient B			1.29162e+00
Coefficient C			-1.61100e-04
Coefficient D			-2.08400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	522.90	J/mol×K	273.00	Calculated Property
Cp,gas	614.09	J/mol×K	353.78	Calculated Property
Cp,gas	700.29	J/mol×K	434.56	Calculated Property
Cp,gas	780.85	J/mol×K	515.33	Calculated Property
Cp,gas	855.09	J/mol×K	596.11	Calculated Property
Cp,gas	922.37	J/mol×K	676.89	Calculated Property
Cp,gas	982.03	J/mol×K	757.67	Calculated Property
Cp,gas	1033.40	J/mol×K	838.44	Calculated Property
Cp,gas	1075.83	J/mol×K	919.22	Calculated Property
Cp,gas	1108.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001528; 0.0000200]	Pa×s	[500.07; 725.18]	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			-1.53425e+01
Coefficient B			3.27867e+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.			500.07
Temperature range, max.			725.18
η	0.0001528	Pa×s	500.07	Calculated Property
η	0.0001118	Pa×s	525.08	Calculated Property
η	0.0000842	Pa×s	550.09	Calculated Property
η	0.0000650	Pa×s	575.11	Calculated Property
η	0.0000512	Pa×s	600.12	Calculated Property
η	0.0000412	Pa×s	625.13	Calculated Property
η	0.0000336	Pa×s	650.14	Calculated Property
η	0.0000279	Pa×s	675.15	Calculated Property
η	0.0000235	Pa×s	700.17	Calculated Property
η	0.0000200	Pa×s	725.18	Calculated Property

Similar Compounds

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

Sources

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

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