Chemical Properties of Propanoic acid, 3-hydroxy-, methyl ester (CAS 6149-41-3)

InChI

InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3

InChI Key

RVGLEPQPVDUSOJ-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

COC(=O)CCO

Molecular Weight¹

104.10

CAS

6149-41-3

Other Names

• Hydracrylic acid, methyl ester
• Methyl «beta»-hydroxypropionate
• Methyl «gamma»-hydroxypropionate
• Methyl hydracrylate
• HOCH2CH2C(O)OCH3

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

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.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.18; 252.47]	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			2.99520e+01
Coefficient B			3.63020e-01
Coefficient C			-1.29600e-04
Coefficient D			-1.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.18	J/mol×K	273.00	Calculated Property
Cp,gas	141.68	J/mol×K	353.78	Calculated Property
Cp,gas	162.34	J/mol×K	434.56	Calculated Property
Cp,gas	181.12	J/mol×K	515.33	Calculated Property
Cp,gas	197.99	J/mol×K	596.11	Calculated Property
Cp,gas	212.92	J/mol×K	676.89	Calculated Property
Cp,gas	225.86	J/mol×K	757.67	Calculated Property
Cp,gas	236.79	J/mol×K	838.44	Calculated Property
Cp,gas	245.67	J/mol×K	919.22	Calculated Property
Cp,gas	252.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0525196; 0.0002839]	Pa×s	[237.99; 428.25]	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			-1.46966e+01
Coefficient B			2.79639e+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.			237.99
Temperature range, max.			428.25
η	0.0525196	Pa×s	237.99	Calculated Property
η	0.0201383	Pa×s	259.13	Calculated Property
η	0.0089233	Pa×s	280.27	Calculated Property
η	0.0044321	Pa×s	301.41	Calculated Property
η	0.0024129	Pa×s	322.55	Calculated Property
η	0.0014156	Pa×s	343.69	Calculated Property
η	0.0008835	Pa×s	364.83	Calculated Property
η	0.0005806	Pa×s	385.97	Calculated Property
η	0.0003986	Pa×s	407.11	Calculated Property
η	0.0002839	Pa×s	428.25	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-hydroxy-, methyl ester.

Sources

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

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