Chemical Properties of PENTYL ACETOACETATE

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-12-9(11)7-8(2)10/h3-7H2,1-2H3

InChI Key

IDZAUPYMMSSVHP-UHFFFAOYSA-N

Formula

C9H16O3

SMILES

CCCCCOC(=O)CC(C)=O

Molecular Weight¹

172.22

Other Names

• Acetoacetic acid, n-amyl ester
• Pentyl 3-oxobutanoate

• 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	[213.67; 480.77]	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			2.74750e+01
Coefficient B			7.76040e-01
Coefficient C			-3.52500e-04
Coefficient D			2.97600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.67	J/mol×K	273.00	Calculated Property
Cp,gas	259.22	J/mol×K	353.78	Calculated Property
Cp,gas	300.58	J/mol×K	434.56	Calculated Property
Cp,gas	337.85	J/mol×K	515.33	Calculated Property
Cp,gas	371.12	J/mol×K	596.11	Calculated Property
Cp,gas	400.49	J/mol×K	676.89	Calculated Property
Cp,gas	426.04	J/mol×K	757.67	Calculated Property
Cp,gas	447.88	J/mol×K	838.44	Calculated Property
Cp,gas	466.09	J/mol×K	919.22	Calculated Property
Cp,gas	480.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041953; 0.0002948]	Pa×s	[283.45; 488.38]	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			-1.18022e+01
Coefficient B			1.79379e+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.			283.45
Temperature range, max.			488.38
η	0.0041953	Pa×s	283.45	Calculated Property
η	0.0026206	Pa×s	306.22	Calculated Property
η	0.0017471	Pa×s	328.99	Calculated Property
η	0.0012275	Pa×s	351.76	Calculated Property
η	0.0009003	Pa×s	374.53	Calculated Property
η	0.0006842	Pa×s	397.30	Calculated Property
η	0.0005357	Pa×s	420.07	Calculated Property
η	0.0004301	Pa×s	442.84	Calculated Property
η	0.0003528	Pa×s	465.61	Calculated Property
η	0.0002948	Pa×s	488.38	Calculated Property

Similar Compounds

Find more compounds similar to PENTYL ACETOACETATE.

Sources

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

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