Chemical Properties of Dipropylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C11H20O4/c1-5-6-13-9(2)7-14-10(3)8-15-11(4)12/h5,9-10H,1,6-8H2,2-4H3

InChI Key

KTOJRRMTHRFSAE-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

C=CCOC(C)COC(C)COC(C)=O

Molecular Weight¹

216.27

• 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	0.5777		Relay (1.0) Calculated Property
ΔfH°gas	-771.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.66	kJ/mol	Joback Calculated Property
ΔvapH°	70.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-0.67		Relay (1.0) Calculated Property
logPoct/wat	1.546		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[1294.00; 1304.00]
Inp	1302.00		NIST
Inp	1304.00		NIST
Inp	1302.00		NIST
Inp	1301.00		NIST
Inp	1299.00		NIST
Inp	1294.00		NIST
Inp	1299.00		NIST
Inp	1298.00		NIST
Inp	1298.00		NIST
Inp	1296.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1302.00		NIST
Inp	1294.00		NIST
Inp	1297.00		NIST
Tboil	523.21	K	Relay (1.0) Calculated Property
Tc	670.72	K	Relay (1.0) Calculated Property
Tfus	220.00	K	Relay (1.0) Calculated Property
Vc	0.663	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	[275.54; 604.50]	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			6.29430e+01
Coefficient B			8.59460e-01
Coefficient C			-2.87300e-04
Coefficient D			-3.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.54	J/mol×K	273.00	Calculated Property
Cp,gas	329.69	J/mol×K	353.78	Calculated Property
Cp,gas	379.66	J/mol×K	434.56	Calculated Property
Cp,gas	425.37	J/mol×K	515.33	Calculated Property
Cp,gas	466.70	J/mol×K	596.11	Calculated Property
Cp,gas	503.58	J/mol×K	676.89	Calculated Property
Cp,gas	535.89	J/mol×K	757.67	Calculated Property
Cp,gas	563.55	J/mol×K	838.44	Calculated Property
Cp,gas	586.45	J/mol×K	919.22	Calculated Property
Cp,gas	604.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049030; 0.0001489]	Pa×s	[268.76; 508.80]	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			-1.27244e+01
Coefficient B			1.99058e+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.			268.76
Temperature range, max.			508.80
η	0.0049030	Pa×s	268.76	Calculated Property
η	0.0025123	Pa×s	295.43	Calculated Property
η	0.0014381	Pa×s	322.10	Calculated Property
η	0.0008965	Pa×s	348.77	Calculated Property
η	0.0005977	Pa×s	375.44	Calculated Property
η	0.0004205	Pa×s	402.11	Calculated Property
η	0.0003090	Pa×s	428.78	Calculated Property
η	0.0002355	Pa×s	455.46	Calculated Property
η	0.0001849	Pa×s	482.13	Calculated Property
η	0.0001489	Pa×s	508.80	Calculated Property

Similar Compounds

Find more compounds similar to Dipropylene glycol, monoallyl ether, acetate.

Sources

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

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