Chemical Properties of Glycerol - propyleneglycol ether, triacetate

InChI

InChI=1S/C12H20O7/c1-8(5-17-9(2)13)16-6-12(19-11(4)15)7-18-10(3)14/h8,12H,5-7H2,1-4H3

InChI Key

KORTUIJSLORALE-UHFFFAOYSA-N

Formula

C12H20O7

SMILES

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

Molecular Weight¹

276.28

• 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	0.7501		Relay (1.0) Calculated Property
ΔfH°gas	-1363.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.08	kJ/mol	Joback Calculated Property
ΔvapH°	94.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-0.45		Relay (1.0) Calculated Property
logPoct/wat	0.449		Crippen Calculated Property
McVol	208.130	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[1632.00; 1640.00]
Inp	1634.00		NIST
Inp	1636.00		NIST
Inp	1634.00		NIST
Inp	1637.00		NIST
Inp	1638.00		NIST
Inp	1638.00		NIST
Inp	1634.00		NIST
Inp	1637.00		NIST
Inp	1634.00		NIST
Inp	1640.00		NIST
Inp	1638.00		NIST
Inp	1632.00		NIST
Tboil	559.50	K	Relay (1.0) Calculated Property
Tc	711.02	K	Relay (1.0) Calculated Property
Tfus	263.82	K	Relay (1.0) Calculated Property
Vc	0.792	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	[323.83; 682.32]	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			9.03430e+01
Coefficient B			9.28080e-01
Coefficient C			-2.40600e-04
Coefficient D			-9.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.83	J/mol×K	273.00	Calculated Property
Cp,gas	384.34	J/mol×K	353.78	Calculated Property
Cp,gas	440.37	J/mol×K	434.56	Calculated Property
Cp,gas	491.65	J/mol×K	515.33	Calculated Property
Cp,gas	537.86	J/mol×K	596.11	Calculated Property
Cp,gas	578.69	J/mol×K	676.89	Calculated Property
Cp,gas	613.86	J/mol×K	757.67	Calculated Property
Cp,gas	643.06	J/mol×K	838.44	Calculated Property
Cp,gas	665.98	J/mol×K	919.22	Calculated Property
Cp,gas	682.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030029; 0.0000950]	Pa×s	[344.22; 597.01]	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			-1.39636e+01
Coefficient B			2.80725e+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.			344.22
Temperature range, max.			597.01
η	0.0030029	Pa×s	344.22	Calculated Property
η	0.0016231	Pa×s	372.31	Calculated Property
η	0.0009564	Pa×s	400.40	Calculated Property
η	0.0006040	Pa×s	428.48	Calculated Property
η	0.0004036	Pa×s	456.57	Calculated Property
η	0.0002826	Pa×s	484.66	Calculated Property
η	0.0002058	Pa×s	512.75	Calculated Property
η	0.0001549	Pa×s	540.83	Calculated Property
η	0.0001199	Pa×s	568.92	Calculated Property
η	0.0000950	Pa×s	597.01	Calculated Property

Similar Compounds

Find more compounds similar to Glycerol - propyleneglycol ether, triacetate.

Sources

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

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