Chemical Properties of Butyl glyoxalate

InChI

InChI=1S/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3

InChI Key

NRYDRJHYTRBBEA-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CCCCOC(=O)C=O

Molecular Weight¹

130.14

Other Names

• Acetic acid, oxo-, butyl ester
• Butyl oxoacetate
• Glyoxylic acid, butyl 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.01; 327.76]	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			3.42430e+01
Coefficient B			4.93520e-01
Coefficient C			-2.01000e-04
Coefficient D			1.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.01	J/mol×K	273.00	Calculated Property
Cp,gas	183.73	J/mol×K	353.78	Calculated Property
Cp,gas	210.83	J/mol×K	434.56	Calculated Property
Cp,gas	235.33	J/mol×K	515.33	Calculated Property
Cp,gas	257.22	J/mol×K	596.11	Calculated Property
Cp,gas	276.52	J/mol×K	676.89	Calculated Property
Cp,gas	293.22	J/mol×K	757.67	Calculated Property
Cp,gas	307.32	J/mol×K	838.44	Calculated Property
Cp,gas	318.84	J/mol×K	919.22	Calculated Property
Cp,gas	327.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050047; 0.0003378]	Pa×s	[241.71; 437.06]	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			-1.13284e+01
Coefficient B			1.45775e+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.			241.71
Temperature range, max.			437.06
η	0.0050047	Pa×s	241.71	Calculated Property
η	0.0030447	Pa×s	263.42	Calculated Property
η	0.0019979	Pa×s	285.12	Calculated Property
η	0.0013916	Pa×s	306.83	Calculated Property
η	0.0010167	Pa×s	328.53	Calculated Property
η	0.0007722	Pa×s	350.24	Calculated Property
η	0.0006057	Pa×s	371.95	Calculated Property
η	0.0004880	Pa×s	393.65	Calculated Property
η	0.0004021	Pa×s	415.36	Calculated Property
η	0.0003378	Pa×s	437.06	Calculated Property

Similar Compounds

Find more compounds similar to Butyl glyoxalate.

Sources

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

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