Chemical Properties of 1,3-Propanediol, 2-methoxy

InChI

InChI=1S/C4H10O3/c1-7-4(2-5)3-6/h4-6H,2-3H2,1H3

InChI Key

RKOGJKGQMPZCGG-UHFFFAOYSA-N

Formula

C4H10O3

SMILES

COC(CO)CO

Molecular Weight¹

106.12

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.43; 282.07]	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			3.36520e+01
Coefficient B			3.94520e-01
Coefficient C			-1.46800e-04
Coefficient D			7.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.43	J/mol×K	273.00	Calculated Property
Cp,gas	154.88	J/mol×K	353.78	Calculated Property
Cp,gas	177.43	J/mol×K	434.56	Calculated Property
Cp,gas	198.07	J/mol×K	515.33	Calculated Property
Cp,gas	216.81	J/mol×K	596.11	Calculated Property
Cp,gas	233.65	J/mol×K	676.89	Calculated Property
Cp,gas	248.60	J/mol×K	757.67	Calculated Property
Cp,gas	261.65	J/mol×K	838.44	Calculated Property
Cp,gas	272.81	J/mol×K	919.22	Calculated Property
Cp,gas	282.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1801305; 0.0001703]	Pa×s	[263.71; 461.40]	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			-1.79674e+01
Coefficient B			4.28617e+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.			263.71
Temperature range, max.			461.40
η	0.1801305	Pa×s	263.71	Calculated Property
η	0.0516225	Pa×s	285.68	Calculated Property
η	0.0176846	Pa×s	307.64	Calculated Property
η	0.0069881	Pa×s	329.61	Calculated Property
η	0.0031011	Pa×s	351.57	Calculated Property
η	0.0015141	Pa×s	373.54	Calculated Property
η	0.0008006	Pa×s	395.50	Calculated Property
η	0.0004526	Pa×s	417.47	Calculated Property
η	0.0002709	Pa×s	439.44	Calculated Property
η	0.0001703	Pa×s	461.40	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2-methoxy.

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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