Chemical Properties of Octapropylene glycol, diacetate

InChI

InChI=1S/C28H54O11/c1-19(11-32-21(3)13-34-23(5)15-36-25(7)17-38-27(9)29)31-12-20(2)33-14-22(4)35-16-24(6)37-18-26(8)39-28(10)30/h19-26H,11-18H2,1-10H3

InChI Key

PBDJQYVLIIEDBC-UHFFFAOYSA-N

Formula

C28H54O11

SMILES

CC(=O)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(C)=O

Molecular Weight¹

566.73

• 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	1.2105		Relay (1.0) Calculated Property
ΔfH°gas	-2231.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.15	kJ/mol	Joback Calculated Property
ΔvapH°	126.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-1.67		Relay (1.0) Calculated Property
logPoct/wat	3.337		Crippen Calculated Property
McVol	461.350	ml/mol	McGowan Calculated Property
Pc	640.60	kPa	Joback Calculated Property
Inp	[2916.00; 2924.00]
Inp	2916.00		NIST
Inp	2920.00		NIST
Inp	2924.00		NIST
Inp	2916.00		NIST
Inp	2920.00		NIST
Inp	2921.00		NIST
Inp	2923.00		NIST
Inp	2920.00		NIST
Inp	2917.00		NIST
Inp	2919.00		NIST
Inp	2924.00		NIST
Inp	2920.00		NIST
Inp	2916.00		NIST
Inp	2921.00		NIST
Inp	2924.00		NIST
Tboil	710.84	K	Relay (1.0) Calculated Property
Tc	833.76	K	Relay (1.0) Calculated Property
Tfus	249.40	K	Relay (1.0) Calculated Property
Vc	1.767	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	[737.45; 1613.90]	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			1.93298e+02
Coefficient B			2.15920e+00
Coefficient C			-5.58800e-04
Coefficient D			-1.79800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	737.45	J/mol×K	273.00	Calculated Property
Cp,gas	879.28	J/mol×K	353.78	Calculated Property
Cp,gas	1011.31	J/mol×K	434.56	Calculated Property
Cp,gas	1133.00	J/mol×K	515.33	Calculated Property
Cp,gas	1243.77	J/mol×K	596.11	Calculated Property
Cp,gas	1343.04	J/mol×K	676.89	Calculated Property
Cp,gas	1430.26	J/mol×K	757.67	Calculated Property
Cp,gas	1504.86	J/mol×K	838.44	Calculated Property
Cp,gas	1566.26	J/mol×K	919.22	Calculated Property
Cp,gas	1613.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000756; 0.0000010]	Pa×s	[525.59; 980.07]	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			-1.87821e+01
Coefficient B			4.88355e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			525.59
Temperature range, max.			980.07
η	0.0000756	Pa×s	525.59	Calculated Property
η	0.0000335	Pa×s	576.09	Calculated Property
η	0.0000169	Pa×s	626.58	Calculated Property
η	0.0000095	Pa×s	677.08	Calculated Property
η	0.0000057	Pa×s	727.58	Calculated Property
η	0.0000037	Pa×s	778.08	Calculated Property
η	0.0000025	Pa×s	828.57	Calculated Property
η	0.0000018	Pa×s	879.07	Calculated Property
η	0.0000013	Pa×s	929.57	Calculated Property
η	0.0000010	Pa×s	980.07	Calculated Property

Similar Compounds

Find more compounds similar to Octapropylene glycol, diacetate.

Sources

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

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