Chemical Properties of Hexapropylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C23H44O8/c1-9-10-25-11-17(2)26-12-18(3)27-13-19(4)28-14-20(5)29-15-21(6)30-16-22(7)31-23(8)24/h9,17-22H,1,10-16H2,2-8H3

InChI Key

PUCZRBPORLLARC-UHFFFAOYSA-N

Formula

C23H44O8

SMILES

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

Molecular Weight¹

448.59

• 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°	44.40	kJ/mol	Joback Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
logPoct/wat	3.166		Crippen Calculated Property
McVol	373.290	ml/mol	McGowan Calculated Property
Pc	848.50	kPa	Joback Calculated Property
Inp	[2394.00; 2400.00]
Inp	2395.00		NIST
Inp	2398.00		NIST
Inp	2400.00		NIST
Inp	2398.00		NIST
Inp	2397.00		NIST
Inp	2396.00		NIST
Inp	2394.00		NIST
Inp	2400.00		NIST
Inp	2399.00		NIST
Inp	2400.00		NIST
Inp	2396.00		NIST
Inp	2400.00		NIST
Tboil	677.77	K	Relay (1.0) Calculated Property
Tc	798.48	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	[590.46; 1299.75]	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			1.47307e+02
Coefficient B			1.77034e+00
Coefficient C			-5.08900e-04
Coefficient D			-1.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	590.46	J/mol×K	273.00	Calculated Property
Cp,gas	705.09	J/mol×K	353.78	Calculated Property
Cp,gas	811.57	J/mol×K	434.56	Calculated Property
Cp,gas	909.56	J/mol×K	515.33	Calculated Property
Cp,gas	998.70	J/mol×K	596.11	Calculated Property
Cp,gas	1078.66	J/mol×K	676.89	Calculated Property
Cp,gas	1149.09	J/mol×K	757.67	Calculated Property
Cp,gas	1209.64	J/mol×K	838.44	Calculated Property
Cp,gas	1259.98	J/mol×K	919.22	Calculated Property
Cp,gas	1299.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004191; 0.0000087]	Pa×s	[432.92; 782.50]	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			-1.64629e+01
Coefficient B			3.76014e+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.			432.92
Temperature range, max.			782.50
η	0.0004191	Pa×s	432.92	Calculated Property
η	0.0002050	Pa×s	471.76	Calculated Property
η	0.0001118	Pa×s	510.60	Calculated Property
η	0.0000664	Pa×s	549.45	Calculated Property
η	0.0000423	Pa×s	588.29	Calculated Property
η	0.0000285	Pa×s	627.13	Calculated Property
η	0.0000201	Pa×s	665.97	Calculated Property
η	0.0000147	Pa×s	704.81	Calculated Property
η	0.0000111	Pa×s	743.65	Calculated Property
η	0.0000087	Pa×s	782.50	Calculated Property

Similar Compounds

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

Sources

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

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