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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1234.47; 1302.59]	J/mol×K	[928.86; 1137.88]
Cp,gas	1234.47	J/mol×K	928.86	Joback Calculated Property
Cp,gas	1251.12	J/mol×K	963.70	Joback Calculated Property
Cp,gas	1265.71	J/mol×K	998.53	Joback Calculated Property
Cp,gas	1278.18	J/mol×K	1033.37	Joback Calculated Property
Cp,gas	1288.51	J/mol×K	1068.21	Joback Calculated Property
Cp,gas	1296.66	J/mol×K	1103.04	Joback Calculated Property
Cp,gas	1302.59	J/mol×K	1137.88	Joback Calculated Property
η	[0.0000038; 0.0004259]	Pa×s	[443.51; 928.86]
η	0.0004259	Pa×s	443.51	Joback Calculated Property
η	0.0001060	Pa×s	524.40	Joback Calculated Property
η	0.0000383	Pa×s	605.29	Joback Calculated Property
η	0.0000176	Pa×s	686.19	Joback Calculated Property
η	0.0000095	Pa×s	767.08	Joback Calculated Property
η	0.0000058	Pa×s	847.97	Joback Calculated Property
η	0.0000038	Pa×s	928.86	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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