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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1037.85; 1120.01]	J/mol×K	[846.16; 1035.97]
Cp,gas	1037.85	J/mol×K	846.16	Joback Calculated Property
Cp,gas	1055.23	J/mol×K	877.79	Joback Calculated Property
Cp,gas	1071.18	J/mol×K	909.43	Joback Calculated Property
Cp,gas	1085.68	J/mol×K	941.06	Joback Calculated Property
Cp,gas	1098.68	J/mol×K	972.70	Joback Calculated Property
Cp,gas	1110.13	J/mol×K	1004.33	Joback Calculated Property
Cp,gas	1120.01	J/mol×K	1035.97	Joback Calculated Property
η	[0.0000105; 0.0001528]	Pa×s	[500.07; 846.16]
η	0.0001528	Pa×s	500.07	Joback Calculated Property
η	0.0000776	Pa×s	557.75	Joback Calculated Property
η	0.0000447	Pa×s	615.43	Joback Calculated Property
η	0.0000283	Pa×s	673.12	Joback Calculated Property
η	0.0000193	Pa×s	730.80	Joback Calculated Property
η	0.0000139	Pa×s	788.48	Joback Calculated Property
η	0.0000105	Pa×s	846.16	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.