Chemical Properties of Glycerol - tetrapropylene glycol ether, triacetate

InChI

InChI=1S/C21H38O10/c1-14(8-25-15(2)9-27-17(4)11-29-18(5)22)26-10-16(3)28-12-21(31-20(7)24)13-30-19(6)23/h14-17,21H,8-13H2,1-7H3

InChI Key

FMHQTQMJBXMPJL-UHFFFAOYSA-N

Formula

C21H38O10

SMILES

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

Molecular Weight¹

450.52

• 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	1.0418		Relay (1.0) Calculated Property
ΔfH°gas	-1959.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.39	kJ/mol	Joback Calculated Property
ΔvapH°	118.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-0.98		Relay (1.0) Calculated Property
logPoct/wat	1.665		Crippen Calculated Property
McVol	352.550	ml/mol	McGowan Calculated Property
Pc	948.50	kPa	Joback Calculated Property
Inp	[2400.00; 2410.00]
Inp	2408.00		NIST
Inp	2405.00		NIST
Inp	2410.00		NIST
Inp	2408.00		NIST
Inp	2404.00		NIST
Inp	2406.00		NIST
Inp	2410.00		NIST
Inp	2402.00		NIST
Inp	2400.00		NIST
Inp	2405.00		NIST
Inp	2404.00		NIST
Inp	2403.00		NIST
Tboil	656.63	K	Relay (1.0) Calculated Property
Tc	794.18	K	Relay (1.0) Calculated Property
Tfus	265.13	K	Relay (1.0) Calculated Property
Vc	1.343	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	[560.03; 1203.76]	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			1.53616e+02
Coefficient B			1.61124e+00
Coefficient C			-4.06800e-04
Coefficient D			-1.54300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	560.03	J/mol×K	273.00	Calculated Property
Cp,gas	665.89	J/mol×K	353.78	Calculated Property
Cp,gas	764.31	J/mol×K	434.56	Calculated Property
Cp,gas	854.79	J/mol×K	515.33	Calculated Property
Cp,gas	936.85	J/mol×K	596.11	Calculated Property
Cp,gas	1010.01	J/mol×K	676.89	Calculated Property
Cp,gas	1073.76	J/mol×K	757.67	Calculated Property
Cp,gas	1127.63	J/mol×K	838.44	Calculated Property
Cp,gas	1171.12	J/mol×K	919.22	Calculated Property
Cp,gas	1203.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003426; 0.0000082]	Pa×s	[467.34; 808.01]	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			-1.68256e+01
Coefficient B			4.13442e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			467.34
Temperature range, max.			808.01
η	0.0003426	Pa×s	467.34	Calculated Property
η	0.0001766	Pa×s	505.19	Calculated Property
η	0.0000998	Pa×s	543.04	Calculated Property
η	0.0000608	Pa×s	580.90	Calculated Property
η	0.0000393	Pa×s	618.75	Calculated Property
η	0.0000268	Pa×s	656.60	Calculated Property
η	0.0000190	Pa×s	694.45	Calculated Property
η	0.0000140	Pa×s	732.30	Calculated Property
η	0.0000106	Pa×s	770.16	Calculated Property
η	0.0000082	Pa×s	808.01	Calculated Property

Similar Compounds

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

Sources

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

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