Chemical Properties of ETHYL ALPHA-PENTYLACETOACETATE

InChI

InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3

InChI Key

XIGZBCUFFUBWDM-UHFFFAOYSA-N

Formula

C11H20O3

SMILES

CCCCCC(C(C)=O)C(=O)OCC

Molecular Weight¹

200.28

Other Names

• Ethyl 2-acetylheptanoate

• 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).
• 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, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.78; 584.50]	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			2.39750e+01
Coefficient B			9.71960e-01
Coefficient C			-4.64500e-04
Coefficient D			5.30600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.78	J/mol×K	273.00	Calculated Property
Cp,gas	312.05	J/mol×K	353.78	Calculated Property
Cp,gas	362.98	J/mol×K	434.56	Calculated Property
Cp,gas	408.76	J/mol×K	515.33	Calculated Property
Cp,gas	449.55	J/mol×K	596.11	Calculated Property
Cp,gas	485.52	J/mol×K	676.89	Calculated Property
Cp,gas	516.82	J/mol×K	757.67	Calculated Property
Cp,gas	543.65	J/mol×K	838.44	Calculated Property
Cp,gas	566.15	J/mol×K	919.22	Calculated Property
Cp,gas	584.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052912; 0.0002486]	Pa×s	[290.99; 520.09]	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			-1.21833e+01
Coefficient B			2.01993e+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.			290.99
Temperature range, max.			520.09
η	0.0052912	Pa×s	290.99	Calculated Property
η	0.0030272	Pa×s	316.45	Calculated Property
η	0.0018821	Pa×s	341.90	Calculated Property
η	0.0012498	Pa×s	367.36	Calculated Property
η	0.0008752	Pa×s	392.81	Calculated Property
η	0.0006400	Pa×s	418.27	Calculated Property
η	0.0004851	Pa×s	443.72	Calculated Property
η	0.0003790	Pa×s	469.18	Calculated Property
η	0.0003037	Pa×s	494.63	Calculated Property
η	0.0002486	Pa×s	520.09	Calculated Property

Similar Compounds

Find more compounds similar to ETHYL ALPHA-PENTYLACETOACETATE.

Sources

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

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