Chemical Properties of 4-Nonanone, 2,6,8-trimethyl- (CAS 123-18-2)

InChI

InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3

InChI Key

GFWVDQCGGDBTBS-UHFFFAOYSA-N

Formula

C12H24O

SMILES

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

Molecular Weight¹

184.32

CAS

123-18-2

Other Names

• 2,6,8-Trimethyl-4-nonanone
• 2,6,8-trimethylnonan-4-one

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[260.03; 629.05]	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			-5.70700e+00
Coefficient B			1.13360e+00
Coefficient C			-6.19900e-04
Coefficient D			1.21060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.03	J/mol×K	273.00	Calculated Property
Cp,gas	323.11	J/mol×K	353.78	Calculated Property
Cp,gas	379.78	J/mol×K	434.56	Calculated Property
Cp,gas	430.42	J/mol×K	515.33	Calculated Property
Cp,gas	475.41	J/mol×K	596.11	Calculated Property
Cp,gas	515.13	J/mol×K	676.89	Calculated Property
Cp,gas	549.98	J/mol×K	757.67	Calculated Property
Cp,gas	580.33	J/mol×K	838.44	Calculated Property
Cp,gas	606.56	J/mol×K	919.22	Calculated Property
Cp,gas	629.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0159580; 0.0002413]	Pa×s	[229.93; 494.94]	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			-1.19663e+01
Coefficient B			1.80001e+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.			229.93
Temperature range, max.			494.94
η	0.0159580	Pa×s	229.93	Calculated Property
η	0.0065615	Pa×s	259.38	Calculated Property
η	0.0032339	Pa×s	288.82	Calculated Property
η	0.0018168	Pa×s	318.27	Calculated Property
η	0.0011254	Pa×s	347.71	Calculated Property
η	0.0007513	Pa×s	377.16	Calculated Property
η	0.0005317	Pa×s	406.61	Calculated Property
η	0.0003943	Pa×s	436.05	Calculated Property
η	0.0003037	Pa×s	465.50	Calculated Property
η	0.0002413	Pa×s	494.94	Calculated Property

Similar Compounds

Find more compounds similar to 4-Nonanone, 2,6,8-trimethyl-.

Sources

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

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