Chemical Properties of 3-Allyloxy-1,2 propanediol

InChI

InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2

InChI Key

PAKCOSURAUIXFG-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

C=CCOCC(O)CO

Molecular Weight¹

132.16

Other Names

• Glycerol-1-allyl ether
• Allyl-«alpha»-glyceryl ether
• Glycerol-«alpha»-allyl ether
• Glycerol «alpha»-monoallyl ether
• 1,2-Propanediol, 3-(2-propenyloxy)-
• Ether, allyl glyceryl
• 1-Allyloxy-2,3-propanediol
• 1,2-Propanediol, 3-(allyloxy)-
• 3-(Allyloxy)propanediol
• 3-(2-Propenyloxy)-1,2-propanediol
• «alpha»-Allyl glycerol ether
• Glycerol 1-monoallyl ether
• Glycerin 1-allyl ether
• 1,2-Propanediol, 3-(2-propen-1-yloxy)-
• NSC 59722
• 3-(allyloxy)propane-1,2-diol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.05; 356.74]	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			2.88430e+01
Coefficient B			5.64500e-01
Coefficient C			-2.78500e-04
Coefficient D			4.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.05	J/mol×K	273.00	Calculated Property
Cp,gas	195.55	J/mol×K	353.78	Calculated Property
Cp,gas	225.00	J/mol×K	434.56	Calculated Property
Cp,gas	251.52	J/mol×K	515.33	Calculated Property
Cp,gas	275.26	J/mol×K	596.11	Calculated Property
Cp,gas	296.34	J/mol×K	676.89	Calculated Property
Cp,gas	314.89	J/mol×K	757.67	Calculated Property
Cp,gas	331.06	J/mol×K	838.44	Calculated Property
Cp,gas	344.96	J/mol×K	919.22	Calculated Property
Cp,gas	356.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0812743; 0.0001180]	Pa×s	[284.49; 491.89]	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			-1.80090e+01
Coefficient B			4.40933e+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.			284.49
Temperature range, max.			491.89
η	0.0812743	Pa×s	284.49	Calculated Property
η	0.0254426	Pa×s	307.53	Calculated Property
η	0.0093647	Pa×s	330.58	Calculated Property
η	0.0039264	Pa×s	353.62	Calculated Property
η	0.0018310	Pa×s	376.67	Calculated Property
η	0.0009324	Pa×s	399.71	Calculated Property
η	0.0005110	Pa×s	422.76	Calculated Property
η	0.0002981	Pa×s	445.80	Calculated Property
η	0.0001833	Pa×s	468.85	Calculated Property
η	0.0001180	Pa×s	491.89	Calculated Property

Similar Compounds

Find more compounds similar to 3-Allyloxy-1,2 propanediol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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