Chemical Properties of 4,6-Nonanedione (CAS 14090-88-1)

InChI

InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3

InChI Key

ZDYWPVCQPUPOJV-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCCC(=O)CC(=O)CCC

Molecular Weight¹

156.22

CAS

14090-88-1

Other Names

• nonane-4,6-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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.26; 461.69]	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			9.42500e+00
Coefficient B			8.02840e-01
Coefficient C			-4.28400e-04
Coefficient D			7.78200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.26	J/mol×K	273.00	Calculated Property
Cp,gas	243.28	J/mol×K	353.78	Calculated Property
Cp,gas	283.79	J/mol×K	434.56	Calculated Property
Cp,gas	320.04	J/mol×K	515.33	Calculated Property
Cp,gas	352.26	J/mol×K	596.11	Calculated Property
Cp,gas	380.71	J/mol×K	676.89	Calculated Property
Cp,gas	405.63	J/mol×K	757.67	Calculated Property
Cp,gas	427.27	J/mol×K	838.44	Calculated Property
Cp,gas	445.87	J/mol×K	919.22	Calculated Property
Cp,gas	461.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036476; 0.0003700]	Pa×s	[291.05; 487.98]	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			-1.12837e+01
Coefficient B			1.65026e+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.			291.05
Temperature range, max.			487.98
η	0.0036476	Pa×s	291.05	Calculated Property
η	0.0024537	Pa×s	312.93	Calculated Property
η	0.0017384	Pa×s	334.81	Calculated Property
η	0.0012848	Pa×s	356.69	Calculated Property
η	0.0009833	Pa×s	378.57	Calculated Property
η	0.0007749	Pa×s	400.46	Calculated Property
η	0.0006259	Pa×s	422.34	Calculated Property
η	0.0005164	Pa×s	444.22	Calculated Property
η	0.0004337	Pa×s	466.10	Calculated Property
η	0.0003700	Pa×s	487.98	Calculated Property

Similar Compounds

Find more compounds similar to 4,6-Nonanedione.

Sources

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

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