Chemical Properties of Butanoic acid, 2-methyl-, (2S)- (CAS 1730-91-2)

InChI

InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1

InChI Key

WLAMNBDJUVNPJU-SCSAIBSYSA-N

Formula

C5H10O2

SMILES

CCC(C)C(=O)O

Molecular Weight¹

102.13

CAS

1730-91-2

Other Names

• (S)-(+)-2-Methylbutyric acid
• Butanoic acid, 2-methyl-, (S)-

• 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	[124.86; 288.60]	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			1.26100e+00
Coefficient B			5.35540e-01
Coefficient C			-3.24000e-04
Coefficient D			7.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.86	J/mol×K	273.00	Calculated Property
Cp,gas	153.53	J/mol×K	353.78	Calculated Property
Cp,gas	179.02	J/mol×K	434.56	Calculated Property
Cp,gas	201.57	J/mol×K	515.33	Calculated Property
Cp,gas	221.43	J/mol×K	596.11	Calculated Property
Cp,gas	238.82	J/mol×K	676.89	Calculated Property
Cp,gas	254.00	J/mol×K	757.67	Calculated Property
Cp,gas	267.19	J/mol×K	838.44	Calculated Property
Cp,gas	278.65	J/mol×K	919.22	Calculated Property
Cp,gas	288.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021123; 0.0002921]	Pa×s	[291.71; 458.24]	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			-1.16037e+01
Coefficient B			1.58800e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.71
Temperature range, max.			458.24
η	0.0021123	Pa×s	291.71	Calculated Property
η	0.0015267	Pa×s	310.21	Calculated Property
η	0.0011445	Pa×s	328.72	Calculated Property
η	0.0008847	Pa×s	347.22	Calculated Property
η	0.0007020	Pa×s	365.72	Calculated Property
η	0.0005695	Pa×s	384.22	Calculated Property
η	0.0004710	Pa×s	402.73	Calculated Property
η	0.0003961	Pa×s	421.23	Calculated Property
η	0.0003380	Pa×s	439.73	Calculated Property
η	0.0002921	Pa×s	458.24	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-methyl-, (2S)-.

Sources

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

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