Chemical Properties of 2,6-Heptanedione, 3-acetyl- (CAS 29214-57-1)

InChI

InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3

InChI Key

RQZJIXZNJBCGQC-UHFFFAOYSA-N

Formula

C9H14O3

SMILES

CC(=O)CCC(C(C)=O)C(C)=O

Molecular Weight¹

170.21

CAS

29214-57-1

Other Names

• 3-acetylheptane-2,6-dione

• ω : Acentric Factor.
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.87; 451.24]	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			1.51020e+01
Coefficient B			7.80760e-01
Coefficient C			-4.12900e-04
Coefficient D			6.82800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.87	J/mol×K	273.00	Calculated Property
Cp,gas	242.66	J/mol×K	353.78	Calculated Property
Cp,gas	282.02	J/mol×K	434.56	Calculated Property
Cp,gas	317.14	J/mol×K	515.33	Calculated Property
Cp,gas	348.26	J/mol×K	596.11	Calculated Property
Cp,gas	375.58	J/mol×K	676.89	Calculated Property
Cp,gas	399.33	J/mol×K	757.67	Calculated Property
Cp,gas	419.71	J/mol×K	838.44	Calculated Property
Cp,gas	436.94	J/mol×K	919.22	Calculated Property
Cp,gas	451.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038903; 0.0003855]	Pa×s	[325.98; 534.02]	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			-1.14830e+01
Coefficient B			1.93427e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			325.98
Temperature range, max.			534.02
η	0.0038903	Pa×s	325.98	Calculated Property
η	0.0026263	Pa×s	349.10	Calculated Property
η	0.0018617	Pa×s	372.21	Calculated Property
η	0.0013738	Pa×s	395.33	Calculated Property
η	0.0010485	Pa×s	418.44	Calculated Property
η	0.0008231	Pa×s	441.56	Calculated Property
η	0.0006619	Pa×s	464.67	Calculated Property
η	0.0005434	Pa×s	487.79	Calculated Property
η	0.0004542	Pa×s	510.91	Calculated Property
η	0.0003855	Pa×s	534.02	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Heptanedione, 3-acetyl-.

Sources

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

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