Chemical Properties of Pentapropylene glydol, diacetate

InChI

InChI=1S/C19H36O8/c1-13(23-10-15(3)25-12-17(5)27-19(7)21)8-22-14(2)9-24-16(4)11-26-18(6)20/h13-17H,8-12H2,1-7H3

InChI Key

JHGXAHQHFIRYKT-UHFFFAOYSA-N

Formula

C19H36O8

SMILES

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

Molecular Weight¹

392.49

• 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	0.9240		Relay (1.0) Calculated Property
ΔfH°gas	-1631.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.84	kJ/mol	Joback Calculated Property
ΔvapH°	102.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-1.15		Relay (1.0) Calculated Property
logPoct/wat	2.122		Crippen Calculated Property
McVol	316.930	ml/mol	McGowan Calculated Property
Pc	1067.97	kPa	Joback Calculated Property
Inp	[2136.00; 2143.00]
Inp	2137.00		NIST
Inp	2139.00		NIST
Inp	2138.00		NIST
Inp	2139.00		NIST
Inp	2136.00		NIST
Inp	2140.00		NIST
Inp	2139.00		NIST
Inp	2139.00		NIST
Inp	2138.00		NIST
Inp	Outlier 2143.00		NIST
Inp	2139.00		NIST
Inp	2140.00		NIST
Inp	2137.00		NIST
Inp	2140.00		NIST
Inp	2139.00		NIST
Tboil	622.83	K	Relay (1.0) Calculated Property
Tc	762.44	K	Relay (1.0) Calculated Property
Tfus	255.31	K	Relay (1.0) Calculated Property
Vc	1.218	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	[501.26; 1092.46]	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			1.30025e+02
Coefficient B			1.47604e+00
Coefficient C			-3.92600e-04
Coefficient D			-1.21000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	501.26	J/mol×K	273.00	Calculated Property
Cp,gas	597.72	J/mol×K	353.78	Calculated Property
Cp,gas	687.38	J/mol×K	434.56	Calculated Property
Cp,gas	769.86	J/mol×K	515.33	Calculated Property
Cp,gas	844.77	J/mol×K	596.11	Calculated Property
Cp,gas	911.73	J/mol×K	676.89	Calculated Property
Cp,gas	970.37	J/mol×K	757.67	Calculated Property
Cp,gas	1020.29	J/mol×K	838.44	Calculated Property
Cp,gas	1061.12	J/mol×K	919.22	Calculated Property
Cp,gas	1092.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009471; 0.0000192]	Pa×s	[402.47; 720.07]	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			-1.57985e+01
Coefficient B			3.55638e+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.			402.47
Temperature range, max.			720.07
η	0.0009471	Pa×s	402.47	Calculated Property
η	0.0004646	Pa×s	437.76	Calculated Property
η	0.0002534	Pa×s	473.05	Calculated Property
η	0.0001504	Pa×s	508.34	Calculated Property
η	0.0000955	Pa×s	543.62	Calculated Property
η	0.0000641	Pa×s	578.91	Calculated Property
η	0.0000450	Pa×s	614.20	Calculated Property
η	0.0000329	Pa×s	649.49	Calculated Property
η	0.0000248	Pa×s	684.78	Calculated Property
η	0.0000192	Pa×s	720.07	Calculated Property

Similar Compounds

Find more compounds similar to Pentapropylene glydol, diacetate.

Sources

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

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