Chemical Properties of Hexapropylene glycol, diacetate

InChI

InChI=1S/C22H42O9/c1-15(9-26-17(3)11-28-19(5)13-30-21(7)23)25-10-16(2)27-12-18(4)29-14-20(6)31-22(8)24/h15-20H,9-14H2,1-8H3

InChI Key

XRODWTVLWCGTKT-UHFFFAOYSA-N

Formula

C22H42O9

SMILES

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

Molecular Weight¹

450.56

• 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	1.0202		Relay (1.0) Calculated Property
ΔfH°gas	-1831.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.28	kJ/mol	Joback Calculated Property
ΔvapH°	111.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	2.527		Crippen Calculated Property
McVol	365.070	ml/mol	McGowan Calculated Property
Pc	887.35	kPa	Joback Calculated Property
Inp	[2391.00; 2404.00]
Inp	2396.00		NIST
Inp	2399.00		NIST
Inp	2395.00		NIST
Inp	2404.00		NIST
Inp	2400.00		NIST
Inp	2400.00		NIST
Inp	2400.00		NIST
Inp	2400.00		NIST
Inp	2397.00		NIST
Inp	2400.00		NIST
Inp	Outlier 2391.00		NIST
Inp	2397.00		NIST
Tboil	653.16	K	Relay (1.0) Calculated Property
Tc	787.87	K	Relay (1.0) Calculated Property
Tfus	254.47	K	Relay (1.0) Calculated Property
Vc	1.401	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	[579.99; 1266.28]	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			1.51116e+02
Coefficient B			1.70376e+00
Coefficient C			-4.48000e-04
Coefficient D			-1.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	579.99	J/mol×K	273.00	Calculated Property
Cp,gas	691.57	J/mol×K	353.78	Calculated Property
Cp,gas	795.36	J/mol×K	434.56	Calculated Property
Cp,gas	890.90	J/mol×K	515.33	Calculated Property
Cp,gas	977.77	J/mol×K	596.11	Calculated Property
Cp,gas	1055.50	J/mol×K	676.89	Calculated Property
Cp,gas	1123.67	J/mol×K	757.67	Calculated Property
Cp,gas	1181.81	J/mol×K	838.44	Calculated Property
Cp,gas	1229.50	J/mol×K	919.22	Calculated Property
Cp,gas	1266.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004259; 0.0000078]	Pa×s	[443.51; 796.51]	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			-1.67775e+01
Coefficient B			3.99877e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			443.51
Temperature range, max.			796.51
η	0.0004259	Pa×s	443.51	Calculated Property
η	0.0002047	Pa×s	482.73	Calculated Property
η	0.0001099	Pa×s	521.96	Calculated Property
η	0.0000643	Pa×s	561.18	Calculated Property
η	0.0000404	Pa×s	600.40	Calculated Property
η	0.0000268	Pa×s	639.62	Calculated Property
η	0.0000187	Pa×s	678.85	Calculated Property
η	0.0000136	Pa×s	718.07	Calculated Property
η	0.0000102	Pa×s	757.29	Calculated Property
η	0.0000078	Pa×s	796.51	Calculated Property

Similar Compounds

Find more compounds similar to Hexapropylene glycol, diacetate.

Sources

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

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