Chemical Properties of Tetrapropylene glycol, diacetate

InChI

InChI=1S/C16H30O7/c1-11(7-20-13(3)9-22-15(5)17)19-8-12(2)21-10-14(4)23-16(6)18/h11-14H,7-10H2,1-6H3

InChI Key

NTAADJGIMDADQS-UHFFFAOYSA-N

Formula

C16H30O7

SMILES

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

Molecular Weight¹

334.41

• 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	0.8275		Relay (1.0) Calculated Property
ΔfH°gas	-1430.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.41	kJ/mol	Joback Calculated Property
ΔvapH°	94.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-0.96		Relay (1.0) Calculated Property
logPoct/wat	1.716		Crippen Calculated Property
McVol	268.790	ml/mol	McGowan Calculated Property
Pc	1309.90	kPa	Joback Calculated Property
Inp	[1873.00; 1879.00]
Inp	1875.00		NIST
Inp	1879.00		NIST
Inp	1875.00		NIST
Inp	1876.00		NIST
Inp	1873.00		NIST
Inp	1878.00		NIST
Inp	1876.00		NIST
Inp	1873.00		NIST
Inp	1877.00		NIST
Inp	1879.00		NIST
Inp	1878.00		NIST
Inp	1875.00		NIST
Tboil	590.59	K	Relay (1.0) Calculated Property
Tc	734.94	K	Relay (1.0) Calculated Property
Tfus	254.41	K	Relay (1.0) Calculated Property
Vc	1.033	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	[422.53; 918.65]	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			1.08934e+02
Coefficient B			1.24832e+00
Coefficient C			-3.37200e-04
Coefficient D			-1.01400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.53	J/mol×K	273.00	Calculated Property
Cp,gas	503.87	J/mol×K	353.78	Calculated Property
Cp,gas	579.40	J/mol×K	434.56	Calculated Property
Cp,gas	648.81	J/mol×K	515.33	Calculated Property
Cp,gas	711.77	J/mol×K	596.11	Calculated Property
Cp,gas	767.96	J/mol×K	676.89	Calculated Property
Cp,gas	817.07	J/mol×K	757.67	Calculated Property
Cp,gas	858.77	J/mol×K	838.44	Calculated Property
Cp,gas	892.73	J/mol×K	919.22	Calculated Property
Cp,gas	918.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019776; 0.0000430]	Pa×s	[361.43; 650.36]	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			-1.48416e+01
Coefficient B			3.11399e+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.			361.43
Temperature range, max.			650.36
η	0.0019776	Pa×s	361.43	Calculated Property
η	0.0009792	Pa×s	393.53	Calculated Property
η	0.0005391	Pa×s	425.64	Calculated Property
η	0.0003227	Pa×s	457.74	Calculated Property
η	0.0002066	Pa×s	489.84	Calculated Property
η	0.0001398	Pa×s	521.95	Calculated Property
η	0.0000989	Pa×s	554.05	Calculated Property
η	0.0000727	Pa×s	586.15	Calculated Property
η	0.0000552	Pa×s	618.26	Calculated Property
η	0.0000430	Pa×s	650.36	Calculated Property

Similar Compounds

Find more compounds similar to Tetrapropylene glycol, diacetate.

Sources

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

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