Chemical Properties of Acetoacetic acid isoamyl ester (CAS 2308-18-1)

InChI

InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3

InChI Key

XHRGPLDMNNGHCX-UHFFFAOYSA-N

Formula

C9H16O3

SMILES

CC(=O)CC(=O)OCCC(C)C

Molecular Weight¹

172.22

CAS

2308-18-1

Other Names

• Butanoic acid, 3-oxo-, 3-methylbutyl ester
• Isoamyl acetoacetate
• 3-Methylbutyl 3-oxobutanoate
• Isoamyl acetylacetate
• Isoamyl «beta»-ketobutyrate
• Isopentyl «beta»-ketobutyrate
• isopentyl acetoacetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.82; 412.73]	J/mol×K	[535.04; 721.50]
Cp,gas	343.82	J/mol×K	535.04	Joback Calculated Property
Cp,gas	356.65	J/mol×K	566.12	Joback Calculated Property
Cp,gas	368.94	J/mol×K	597.19	Joback Calculated Property
Cp,gas	380.69	J/mol×K	628.27	Joback Calculated Property
Cp,gas	391.90	J/mol×K	659.35	Joback Calculated Property
Cp,gas	402.58	J/mol×K	690.42	Joback Calculated Property
Cp,gas	412.73	J/mol×K	721.50	Joback Calculated Property
η	[0.0002429; 0.0035617]	Pa×s	[298.28; 535.04]
η	0.0035617	Pa×s	298.28	Joback Calculated Property
η	0.0017528	Pa×s	337.74	Joback Calculated Property
η	0.0010005	Pa×s	377.20	Joback Calculated Property
η	0.0006351	Pa×s	416.66	Joback Calculated Property
η	0.0004361	Pa×s	456.12	Joback Calculated Property
η	0.0003180	Pa×s	495.58	Joback Calculated Property
η	0.0002429	Pa×s	535.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetoacetic acid isoamyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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