Chemical Properties of Propylene glycol, monoallyl ether, acetate

InChI

InChI=1S/C8H14O3/c1-4-5-10-6-7(2)11-8(3)9/h4,7H,1,5-6H2,2-3H3

InChI Key

RGLXHIFBHJMQQI-UHFFFAOYSA-N

Formula

C8H14O3

SMILES

C=CCOCC(C)OC(C)=O

Molecular Weight¹

158.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.23	kJ/mol	Joback Calculated Property
IE	9.55	eV	Relay (1.0) Calculated Property
logPoct/wat	1.141		Crippen Calculated Property
McVol	132.590	ml/mol	McGowan Calculated Property
Pc	2635.25	kPa	Joback Calculated Property
Inp	[1010.00; 1018.00]
Inp	1018.00		NIST
Inp	1015.00		NIST
Inp	1016.00		NIST
Inp	1018.00		NIST
Inp	1012.00		NIST
Inp	1013.00		NIST
Inp	1012.00		NIST
Inp	1013.00		NIST
Inp	1015.00		NIST
Inp	1010.00		NIST
Inp	1012.00		NIST
Inp	1012.00		NIST
Inp	1018.00		NIST
Inp	1013.00		NIST
Inp	1012.00		NIST
Tboil	445.77	K	Relay (1.0) Calculated Property
Tc	627.93	K	Relay (1.0) Calculated Property
Tfus	207.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.81; 430.69]	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			4.18520e+01
Coefficient B			6.31740e-01
Coefficient C			-2.31900e-04
Coefficient D			-1.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.81	J/mol×K	273.00	Calculated Property
Cp,gas	235.84	J/mol×K	353.78	Calculated Property
Cp,gas	271.68	J/mol×K	434.56	Calculated Property
Cp,gas	304.32	J/mol×K	515.33	Calculated Property
Cp,gas	333.70	J/mol×K	596.11	Calculated Property
Cp,gas	359.81	J/mol×K	676.89	Calculated Property
Cp,gas	382.59	J/mol×K	757.67	Calculated Property
Cp,gas	402.02	J/mol×K	838.44	Calculated Property
Cp,gas	418.07	J/mol×K	919.22	Calculated Property
Cp,gas	430.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059670; 0.0002130]	Pa×s	[227.72; 446.70]	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			-1.19202e+01
Coefficient B			1.54819e+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.			227.72
Temperature range, max.			446.70
η	0.0059670	Pa×s	227.72	Calculated Property
η	0.0030955	Pa×s	252.05	Calculated Property
η	0.0018026	Pa×s	276.38	Calculated Property
η	0.0011457	Pa×s	300.71	Calculated Property
η	0.0007793	Pa×s	325.05	Calculated Property
η	0.0005593	Pa×s	349.38	Calculated Property
η	0.0004191	Pa×s	373.71	Calculated Property
η	0.0003253	Pa×s	398.04	Calculated Property
η	0.0002600	Pa×s	422.37	Calculated Property
η	0.0002130	Pa×s	446.70	Calculated Property

Similar Compounds

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

Sources

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

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