Chemical Properties of Octapropylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C29H56O10/c1-11-12-31-13-21(2)32-14-22(3)33-15-23(4)34-16-24(5)35-17-25(6)36-18-26(7)37-19-27(8)38-20-28(9)39-29(10)30/h11,21-28H,1,12-20H2,2-10H3

InChI Key

INQRCQNMYZGEQB-UHFFFAOYSA-N

Formula

C29H56O10

SMILES

C=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O

Molecular Weight¹

564.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.27	kJ/mol	Joback Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
logPoct/wat	3.976		Crippen Calculated Property
McVol	469.570	ml/mol	McGowan Calculated Property
Pc	616.65	kPa	Joback Calculated Property
Inp	[2911.00; 2916.00]
Inp	2911.00		NIST
Inp	2914.00		NIST
Inp	2916.00		NIST
Inp	2916.00		NIST
Inp	2911.00		NIST
Inp	2914.00		NIST
Inp	2916.00		NIST
Inp	2911.00		NIST
Inp	2912.00		NIST
Inp	2914.00		NIST
Inp	2916.00		NIST
Inp	2912.00		NIST
Inp	2911.00		NIST
Inp	2914.00		NIST
Inp	2916.00		NIST
Tboil	736.94	K	Relay (1.0) Calculated Property
Tc	842.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.93; 1647.37]	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			1.89489e+02
Coefficient B			2.22578e+00
Coefficient C			-6.19700e-04
Coefficient D			-1.48200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	747.93	J/mol×K	273.00	Calculated Property
Cp,gas	892.80	J/mol×K	353.78	Calculated Property
Cp,gas	1027.53	J/mol×K	434.56	Calculated Property
Cp,gas	1151.65	J/mol×K	515.33	Calculated Property
Cp,gas	1264.70	J/mol×K	596.11	Calculated Property
Cp,gas	1366.20	J/mol×K	676.89	Calculated Property
Cp,gas	1455.69	J/mol×K	757.67	Calculated Property
Cp,gas	1532.69	J/mol×K	838.44	Calculated Property
Cp,gas	1596.74	J/mol×K	919.22	Calculated Property
Cp,gas	1647.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000789; 0.0000012]	Pa×s	[515.00; 964.87]	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			-1.84666e+01
Coefficient B			4.64492e+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.			515.00
Temperature range, max.			964.87
η	0.0000789	Pa×s	515.00	Calculated Property
η	0.0000355	Pa×s	564.99	Calculated Property
η	0.0000182	Pa×s	614.97	Calculated Property
η	0.0000103	Pa×s	664.96	Calculated Property
η	0.0000063	Pa×s	714.94	Calculated Property
η	0.0000041	Pa×s	764.93	Calculated Property
η	0.0000029	Pa×s	814.91	Calculated Property
η	0.0000021	Pa×s	864.90	Calculated Property
η	0.0000015	Pa×s	914.88	Calculated Property
η	0.0000012	Pa×s	964.87	Calculated Property

Similar Compounds

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

Sources

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

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