Chemical Properties of 2,4-Heptanedione, 6-methyl-

InChI

InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3

InChI Key

IGMOYJSFRIASIE-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

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

Molecular Weight¹

142.20

Other Names

• 6-Methyl-2,4-heptanedione
• 6-Methylheptan-2,4-dione
• 6-Methylheptane-2,4-dione
• 6-methyl-2,4-heptadione

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

Physical Properties

Property	Value	Unit	Source
ω	0.4670		Relay (1.0) Calculated Property
ΔfH°gas	-456.50	kJ/mol	NIST
ΔfusH°	16.15	kJ/mol	Joback Calculated Property
ΔvapH°	45.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-1.60		Aq. Solubility Prediction
logPoct/wat	1.581		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Inp	[1000.00; 1036.02]
Inp	1028.70		NIST
Inp	1032.09		NIST
Inp	1033.26		NIST
Inp	1036.02		NIST
Inp	1036.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	1036.00		NIST
Tboil	455.76	K	Relay (1.0) Calculated Property
Tc	655.01	K	Relay (1.0) Calculated Property
Tfus	277.17	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.50; 340.10]	J/mol×K	[489.94; 679.81]
Cp,gas	275.50	J/mol×K	489.94	Joback Calculated Property
Cp,gas	287.60	J/mol×K	521.58	Joback Calculated Property
Cp,gas	299.15	J/mol×K	553.23	Joback Calculated Property
Cp,gas	310.17	J/mol×K	584.87	Joback Calculated Property
Cp,gas	320.66	J/mol×K	616.52	Joback Calculated Property
Cp,gas	330.63	J/mol×K	648.16	Joback Calculated Property
Cp,gas	340.10	J/mol×K	679.81	Joback Calculated Property
η	[0.0003161; 0.0050267]	Pa×s	[264.78; 489.94]
η	0.0050267	Pa×s	264.78	Joback Calculated Property
η	0.0023810	Pa×s	302.31	Joback Calculated Property
η	0.0013301	Pa×s	339.83	Joback Calculated Property
η	0.0008343	Pa×s	377.36	Joback Calculated Property
η	0.0005694	Pa×s	414.89	Joback Calculated Property
η	0.0004140	Pa×s	452.41	Joback Calculated Property
η	0.0003161	Pa×s	489.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Heptanedione, 6-methyl-.

Sources

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

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