Chemical Properties of Glycerol - hexapropylene glycol ether, triacetate

InChI

InChI=1S/C27H50O12/c1-18(10-31-19(2)11-33-21(4)13-35-23(6)15-37-24(7)28)32-12-20(3)34-14-22(5)36-16-27(39-26(9)30)17-38-25(8)29/h18-23,27H,10-17H2,1-9H3

InChI Key

VNXWFVRWZBGCGK-UHFFFAOYSA-N

Formula

C27H50O12

SMILES

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

Molecular Weight¹

566.68

• 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	1.2320		Relay (1.0) Calculated Property
ΔfH°gas	-2357.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.26	kJ/mol	Joback Calculated Property
ΔvapH°	134.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	2.475		Crippen Calculated Property
McVol	448.830	ml/mol	McGowan Calculated Property
Pc	677.82	kPa	Joback Calculated Property
Inp	[2922.00; 2932.00]
Inp	2928.00		NIST
Inp	2928.00		NIST
Inp	2929.00		NIST
Inp	2927.00		NIST
Inp	2926.00		NIST
Inp	2930.00		NIST
Inp	Outlier 2922.00		NIST
Inp	2930.00		NIST
Inp	2928.00		NIST
Inp	2930.00		NIST
Inp	2931.00		NIST
Inp	2932.00		NIST
Inp	2928.00		NIST
Inp	2930.00		NIST
Inp	2931.00		NIST
Tboil	714.90	K	Relay (1.0) Calculated Property
Tc	839.76	K	Relay (1.0) Calculated Property
Tfus	260.49	K	Relay (1.0) Calculated Property
Vc	1.707	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	[717.49; 1551.38]	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			1.95798e+02
Coefficient B			2.06668e+00
Coefficient C			-5.17600e-04
Coefficient D			-1.93500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	717.49	J/mol×K	273.00	Calculated Property
Cp,gas	853.59	J/mol×K	353.78	Calculated Property
Cp,gas	980.26	J/mol×K	434.56	Calculated Property
Cp,gas	1096.89	J/mol×K	515.33	Calculated Property
Cp,gas	1202.85	J/mol×K	596.11	Calculated Property
Cp,gas	1297.55	J/mol×K	676.89	Calculated Property
Cp,gas	1380.36	J/mol×K	757.67	Calculated Property
Cp,gas	1450.67	J/mol×K	838.44	Calculated Property
Cp,gas	1507.89	J/mol×K	919.22	Calculated Property
Cp,gas	1551.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000616; 0.0000010]	Pa×s	[549.42; 992.17]	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			-1.88302e+01
Coefficient B			5.01920e+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.			549.42
Temperature range, max.			992.17
η	0.0000616	Pa×s	549.42	Calculated Property
η	0.0000291	Pa×s	598.61	Calculated Property
η	0.0000154	Pa×s	647.81	Calculated Property
η	0.0000089	Pa×s	697.00	Calculated Property
η	0.0000055	Pa×s	746.20	Calculated Property
η	0.0000037	Pa×s	795.39	Calculated Property
η	0.0000025	Pa×s	844.59	Calculated Property
η	0.0000018	Pa×s	893.78	Calculated Property
η	0.0000014	Pa×s	942.98	Calculated Property
η	0.0000010	Pa×s	992.17	Calculated Property

Similar Compounds

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

Sources

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

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