Chemical Properties of 3-methylnonane-2,4-dione

InChI

InChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h8H,4-7H2,1-3H3

InChI Key

BGVBGAIWXAXBLP-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCCCCC(=O)C(C)C(C)=O

Molecular Weight¹

170.25

Other Names

• 2,4-Nonanedione, 3-methyl
• 3-methyl-2,4-nonanedione
• 3-methyl-2,4-nonandione
• 3-Methyl-2,4-nonadione

• 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.
• I : 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	0.5148		Relay (1.0) Calculated Property
ΔfH°gas	-513.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.33	kJ/mol	Joback Calculated Property
ΔvapH°	52.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-1.92		Relay (1.0) Calculated Property
logPoct/wat	2.361		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[1240.00; 1292.00]
Inp	1242.00		NIST
Inp	1253.00		NIST
Inp	1250.00		NIST
Inp	1253.00		NIST
Inp	1240.00		NIST
Inp	1247.00		NIST
Inp	Outlier 1292.00		NIST
Inp	1246.00		NIST
Inp	1253.00		NIST
Inp	Outlier 1292.00		NIST
Inp	1253.00		NIST
Inp	1242.00		NIST
Inp	1240.00		NIST
I	[1703.00; 1764.00]
I	1764.00		NIST
I	1719.00		NIST
I	1716.00		NIST
I	1722.00		NIST
I	1723.00		NIST
I	1715.00		NIST
I	1722.00		NIST
I	1762.00		NIST
I	1706.00		NIST
I	1734.00		NIST
I	1711.00		NIST
I	1703.00		NIST
I	1726.00		NIST
I	1764.00		NIST
Tboil	489.86	K	Relay (1.0) Calculated Property
Tc	672.88	K	Relay (1.0) Calculated Property
Tfus	314.89	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	[365.13; 439.24]	J/mol×K	[535.50; 721.00]
Cp,gas	365.13	J/mol×K	535.50	Joback Calculated Property
Cp,gas	379.03	J/mol×K	566.42	Joback Calculated Property
Cp,gas	392.29	J/mol×K	597.33	Joback Calculated Property
Cp,gas	404.92	J/mol×K	628.25	Joback Calculated Property
Cp,gas	416.95	J/mol×K	659.17	Joback Calculated Property
Cp,gas	428.38	J/mol×K	690.09	Joback Calculated Property
Cp,gas	439.24	J/mol×K	721.00	Joback Calculated Property
η	[0.0002740; 0.0048550]	Pa×s	[287.32; 535.50]
η	0.0048550	Pa×s	287.32	Joback Calculated Property
η	0.0022242	Pa×s	328.68	Joback Calculated Property
η	0.0012132	Pa×s	370.05	Joback Calculated Property
η	0.0007476	Pa×s	411.41	Joback Calculated Property
η	0.0005032	Pa×s	452.77	Joback Calculated Property
η	0.0003620	Pa×s	494.14	Joback Calculated Property
η	0.0002740	Pa×s	535.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-methylnonane-2,4-dione.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.