Chemical Properties of Glycerol - pentapropylene glycol ether, triacetate

InChI

InChI=1S/C24H44O11/c1-16(9-29-18(3)11-31-20(5)13-33-21(6)25)28-10-17(2)30-12-19(4)32-14-24(35-23(8)27)15-34-22(7)26/h16-20,24H,9-15H2,1-8H3

InChI Key

KXCCMIFWTFRVGQ-UHFFFAOYSA-N

Formula

C24H44O11

SMILES

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

Molecular Weight¹

508.60

• 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	1.1374		Relay (1.0) Calculated Property
ΔfH°gas	-2158.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.82	kJ/mol	Joback Calculated Property
ΔvapH°	126.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	2.070		Crippen Calculated Property
McVol	400.690	ml/mol	McGowan Calculated Property
Pc	796.18	kPa	Joback Calculated Property
Inp	[2684.00; 2691.00]
Inp	2688.00		NIST
Inp	2686.00		NIST
Inp	2691.00		NIST
Inp	2690.00		NIST
Inp	Outlier 2684.00		NIST
Inp	2691.00		NIST
Inp	2685.00		NIST
Inp	2690.00		NIST
Inp	2687.00		NIST
Inp	2690.00		NIST
Inp	2690.00		NIST
Inp	2690.00		NIST
Inp	2688.00		NIST
Inp	2691.00		NIST
Inp	2690.00		NIST
Tboil	686.04	K	Relay (1.0) Calculated Property
Tc	817.62	K	Relay (1.0) Calculated Property
Tfus	263.12	K	Relay (1.0) Calculated Property
Vc	1.525	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	[638.76; 1377.57]	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			1.74707e+02
Coefficient B			1.83896e+00
Coefficient C			-4.62200e-04
Coefficient D			-1.73900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	638.76	J/mol×K	273.00	Calculated Property
Cp,gas	759.74	J/mol×K	353.78	Calculated Property
Cp,gas	872.29	J/mol×K	434.56	Calculated Property
Cp,gas	975.84	J/mol×K	515.33	Calculated Property
Cp,gas	1069.85	J/mol×K	596.11	Calculated Property
Cp,gas	1153.78	J/mol×K	676.89	Calculated Property
Cp,gas	1227.06	J/mol×K	757.67	Calculated Property
Cp,gas	1289.15	J/mol×K	838.44	Calculated Property
Cp,gas	1339.50	J/mol×K	919.22	Calculated Property
Cp,gas	1377.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001480; 0.0000030]	Pa×s	[508.38; 893.87]	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			-1.78213e+01
Coefficient B			4.57681e+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.			508.38
Temperature range, max.			893.87
η	0.0001480	Pa×s	508.38	Calculated Property
η	0.0000735	Pa×s	551.21	Calculated Property
η	0.0000404	Pa×s	594.04	Calculated Property
η	0.0000241	Pa×s	636.88	Calculated Property
η	0.0000153	Pa×s	679.71	Calculated Property
η	0.0000103	Pa×s	722.54	Calculated Property
η	0.0000072	Pa×s	765.37	Calculated Property
η	0.0000052	Pa×s	808.20	Calculated Property
η	0.0000039	Pa×s	851.04	Calculated Property
η	0.0000030	Pa×s	893.87	Calculated Property

Similar Compounds

Find more compounds similar to Glycerol - pentapropylene glycol ether, triacetate.

Sources

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

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