Chemical Properties of 3-Nonanone, 2-methyl- (CAS 5445-31-8)

InChI

InChI=1S/C10H20O/c1-4-5-6-7-8-10(11)9(2)3/h9H,4-8H2,1-3H3

InChI Key

OPZBFCHDGBPBRJ-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CCCCCCC(=O)C(C)C

Molecular Weight¹

156.27

CAS

5445-31-8

Other Names

• 2-Methyl-3-nonanone
• 2-Methylnonan-3-one
• Hexyl isopropyl ketone

• 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).
• P_vap : Vapor pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-98.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-367.59	kJ/mol	Joback Calculated Property
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔvapH°	44.21	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.182		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Pc	2252.53	kPa	Joback Calculated Property
I	[1415.00; 1415.00]
I	1415.00		NIST
I	1415.00		NIST
Tboil	473.00 ± 4.00	K	NIST
Tc	658.01	K	Joback Calculated Property
Tfus	237.39	K	Joback Calculated Property
Vc	0.596	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.14; 422.05]	J/mol×K	[481.63; 658.01]
Cp,gas	342.14	J/mol×K	481.63	Joback Calculated Property
Cp,gas	356.94	J/mol×K	511.03	Joback Calculated Property
Cp,gas	371.13	J/mol×K	540.42	Joback Calculated Property
Cp,gas	384.72	J/mol×K	569.82	Joback Calculated Property
Cp,gas	397.72	J/mol×K	599.22	Joback Calculated Property
Cp,gas	410.16	J/mol×K	628.61	Joback Calculated Property
Cp,gas	422.05	J/mol×K	658.01	Joback Calculated Property
η	[0.0002545; 0.0067728]	Pa×s	[237.39; 481.63]
η	0.0067728	Pa×s	237.39	Joback Calculated Property
η	0.0026268	Pa×s	278.10	Joback Calculated Property
η	0.0012976	Pa×s	318.80	Joback Calculated Property
η	0.0007520	Pa×s	359.51	Joback Calculated Property
η	0.0004869	Pa×s	400.22	Joback Calculated Property
η	0.0003417	Pa×s	440.92	Joback Calculated Property
η	0.0002545	Pa×s	481.63	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.90; 501.37]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50941e+01
Coefficient B			-4.19402e+03
Coefficient C			-7.26440e+01
Temperature range, min.			355.90
Temperature range, max.			501.37
Pvap	1.33	kPa	355.90	Calculated Property
Pvap	2.97	kPa	372.06	Calculated Property
Pvap	6.08	kPa	388.23	Calculated Property
Pvap	11.61	kPa	404.39	Calculated Property
Pvap	20.89	kPa	420.55	Calculated Property
Pvap	35.67	kPa	436.72	Calculated Property
Pvap	58.21	kPa	452.88	Calculated Property
Pvap	91.27	kPa	469.04	Calculated Property
Pvap	138.14	kPa	485.21	Calculated Property
Pvap	202.66	kPa	501.37	Calculated Property

Similar Compounds

Find more compounds similar to 3-Nonanone, 2-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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