Chemical Properties of Propyl pyruvate

InChI

InChI=1S/C6H10O3/c1-3-4-9-6(8)5(2)7/h3-4H2,1-2H3

InChI Key

ILPVOWZUBFRIAX-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CCCOC(=O)C(C)=O

Molecular Weight¹

130.14

• 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).
• I_np : Non-polar retention indices.
• 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	[150.03; 326.00]	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			3.02020e+01
Coefficient B			4.91040e-01
Coefficient C			-1.89300e-04
Coefficient D			-5.94000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.03	J/mol×K	273.00	Calculated Property
Cp,gas	179.97	J/mol×K	353.78	Calculated Property
Cp,gas	207.35	J/mol×K	434.56	Calculated Property
Cp,gas	232.17	J/mol×K	515.33	Calculated Property
Cp,gas	254.39	J/mol×K	596.11	Calculated Property
Cp,gas	274.01	J/mol×K	676.89	Calculated Property
Cp,gas	290.99	J/mol×K	757.67	Calculated Property
Cp,gas	305.33	J/mol×K	838.44	Calculated Property
Cp,gas	317.01	J/mol×K	919.22	Calculated Property
Cp,gas	326.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043769; 0.0003089]	Pa×s	[249.64; 444.12]	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			-1.14854e+01
Coefficient B			1.51131e+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.			249.64
Temperature range, max.			444.12
η	0.0043769	Pa×s	249.64	Calculated Property
η	0.0027022	Pa×s	271.25	Calculated Property
η	0.0017913	Pa×s	292.86	Calculated Property
η	0.0012565	Pa×s	314.47	Calculated Property
η	0.0009225	Pa×s	336.08	Calculated Property
η	0.0007030	Pa×s	357.69	Calculated Property
η	0.0005526	Pa×s	379.29	Calculated Property
η	0.0004458	Pa×s	400.90	Calculated Property
η	0.0003676	Pa×s	422.51	Calculated Property
η	0.0003089	Pa×s	444.12	Calculated Property

Similar Compounds

Find more compounds similar to Propyl pyruvate.

Sources

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

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