Chemical Properties of Butanoic acid, 3-hydroxy-, methyl ester, (S)-

InChI

InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1

InChI Key

LDLDJEAVRNAEBW-SCSAIBSYSA-N

Formula

C5H10O3

SMILES

COC(=O)C[C@H](C)O

Molecular Weight¹

118.13

Other Names

• Methyl (S)-(+)-3-hydroxybutyrate
• Butanoic acid, 3-hydroxy-, methyl ester, (3S)-
• (+)-(3S)-3-Hydroxybutanoic acid methyl ester
• (S)-3-Hydroxybutanoic acid methyl ester
• (S)-Methyl 3-hydroxybutanoate
• (.+/-.)-3-Hydroxybutyric acid, methyl ester
• methyl (S)-3-hydroxybutyrate

• 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).
• 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.07; 304.60]	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			2.73610e+01
Coefficient B			4.63940e-01
Coefficient C			-1.87200e-04
Coefficient D			5.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.07	J/mol×K	273.00	Calculated Property
Cp,gas	168.09	J/mol×K	353.78	Calculated Property
Cp,gas	193.66	J/mol×K	434.56	Calculated Property
Cp,gas	216.80	J/mol×K	515.33	Calculated Property
Cp,gas	237.51	J/mol×K	596.11	Calculated Property
Cp,gas	255.78	J/mol×K	676.89	Calculated Property
Cp,gas	271.63	J/mol×K	757.67	Calculated Property
Cp,gas	285.04	J/mol×K	838.44	Calculated Property
Cp,gas	296.04	J/mol×K	919.22	Calculated Property
Cp,gas	304.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0904747; 0.0002405]	Pa×s	[234.26; 445.68]	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			-1.49032e+01
Coefficient B			2.92837e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			234.26
Temperature range, max.			445.68
η	0.0904747	Pa×s	234.26	Calculated Property
η	0.0289568	Pa×s	257.75	Calculated Property
η	0.0112105	Pa×s	281.24	Calculated Property
η	0.0050239	Pa×s	304.73	Calculated Property
η	0.0025255	Pa×s	328.22	Calculated Property
η	0.0013917	Pa×s	351.71	Calculated Property
η	0.0008264	Pa×s	375.20	Calculated Property
η	0.0005218	Pa×s	398.70	Calculated Property
η	0.0003467	Pa×s	422.19	Calculated Property
η	0.0002405	Pa×s	445.68	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-hydroxy-, methyl ester, (S)-.

Sources

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

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