Chemical Properties of 3-methylnonane-2,4-dione (CAS 113486-29-6)

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

CAS

113486-29-6

Other Names

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

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-226.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.17	kJ/mol	Joback Calculated Property
ΔfusH°	21.33	kJ/mol	Joback Calculated Property
ΔvapH°	50.96	kJ/mol	Joback Calculated Property
log10WS	-2.33		Crippen 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	1240.00		NIST
I	[1703.00; 1764.00]
I	Outlier 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	Outlier 1762.00		NIST
I	1706.00		NIST
I	1734.00		NIST
I	1711.00		NIST
I	1703.00		NIST
I	1726.00		NIST
Tboil	535.50	K	Joback Calculated Property
Tc	721.00	K	Joback Calculated Property
Tfus	287.32	K	Joback Calculated Property
Vc	0.602	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.