Chemical Properties of Butanoic acid, 2,3-dihydroxypropyl ester

InChI

InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3

InChI Key

RIEABXYBQSLTFR-UHFFFAOYSA-N

Formula

C7H14O4

SMILES

CCCC(=O)OCC(O)CO

Molecular Weight¹

162.19

Other Names

• «alpha»-Monobutyrin
• Butyrin, 1-mono-
• Glycerol-«alpha»-mono-n-butyrate
• 1-Monobutyrin
• Mono-n-butyrin
• 1-Mono-n-butyrin
• 2,3-dihydroxypropyl butyrate
• (dl) butyric acid, 2,3-dihydroxypropyl ester

• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.00; 426.45]	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			3.08340e+01
Coefficient B			6.87920e-01
Coefficient C			-3.26400e-04
Coefficient D			3.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.00	J/mol×K	273.00	Calculated Property
Cp,gas	234.86	J/mol×K	353.78	Calculated Property
Cp,gas	270.93	J/mol×K	434.56	Calculated Property
Cp,gas	303.33	J/mol×K	515.33	Calculated Property
Cp,gas	332.15	J/mol×K	596.11	Calculated Property
Cp,gas	357.51	J/mol×K	676.89	Calculated Property
Cp,gas	379.51	J/mol×K	757.67	Calculated Property
Cp,gas	398.26	J/mol×K	838.44	Calculated Property
Cp,gas	413.87	J/mol×K	919.22	Calculated Property
Cp,gas	426.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0370814; 0.0000735]	Pa×s	[317.62; 537.16]	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			-1.85213e+01
Coefficient B			4.83628e+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.			317.62
Temperature range, max.			537.16
η	0.0370814	Pa×s	317.62	Calculated Property
η	0.0125175	Pa×s	342.01	Calculated Property
η	0.0048829	Pa×s	366.41	Calculated Property
η	0.0021423	Pa×s	390.80	Calculated Property
η	0.0010354	Pa×s	415.19	Calculated Property
η	0.0005425	Pa×s	439.59	Calculated Property
η	0.0003042	Pa×s	463.98	Calculated Property
η	0.0001808	Pa×s	488.37	Calculated Property
η	0.0001128	Pa×s	512.76	Calculated Property
η	0.0000735	Pa×s	537.16	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,3-dihydroxypropyl ester.

Sources

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

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