Chemical Properties of 2,4-Nonanedione (CAS 6175-23-1)

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h3-7H2,1-2H3

InChI Key

KFBXUKHERGLHLG-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCCCCC(=O)CC(C)=O

Molecular Weight¹

156.22

CAS

6175-23-1

Other Names

• nonane-2,4-dione

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

Physical Properties

Property	Value	Unit	Source
ω	0.5412		Relay (1.0) Calculated Property
ΔfG°	-232.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔvapH°	48.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-2.05		Relay (1.0) Calculated Property
logPoct/wat	2.115		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
Inp	[1136.19; 1152.00]
Inp	1136.19		NIST
Inp	1152.00		NIST
Inp	1152.00		NIST
Tboil	487.48	K	Relay (1.0) Calculated Property
Tc	671.31	K	Relay (1.0) Calculated Property
Tfus	301.03	K	Relay (1.0) Calculated Property
Vc	0.515	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.07; 387.18]	J/mol×K	[513.06; 696.84]
Cp,gas	319.07	J/mol×K	513.06	Joback Calculated Property
Cp,gas	331.79	J/mol×K	543.69	Joback Calculated Property
Cp,gas	343.95	J/mol×K	574.32	Joback Calculated Property
Cp,gas	355.55	J/mol×K	604.95	Joback Calculated Property
Cp,gas	366.62	J/mol×K	635.58	Joback Calculated Property
Cp,gas	377.16	J/mol×K	666.21	Joback Calculated Property
Cp,gas	387.18	J/mol×K	696.84	Joback Calculated Property
η	[0.0003137; 0.0036476]	Pa×s	[291.05; 513.06]
η	0.0036476	Pa×s	291.05	Joback Calculated Property
η	0.0019243	Pa×s	328.05	Joback Calculated Property
η	0.0011556	Pa×s	365.05	Joback Calculated Property
η	0.0007623	Pa×s	402.05	Joback Calculated Property
η	0.0005394	Pa×s	439.06	Joback Calculated Property
η	0.0004027	Pa×s	476.06	Joback Calculated Property
η	0.0003137	Pa×s	513.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[351.34; 517.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37887e+01
Coefficient B			-3.78178e+03
Coefficient C			-7.12340e+01
Temperature range, min.			351.34
Temperature range, max.			517.34
Pvap	1.33	kPa	351.34	Calculated Property
Pvap	3.07	kPa	369.78	Calculated Property
Pvap	6.41	kPa	388.23	Calculated Property
Pvap	12.36	kPa	406.67	Calculated Property
Pvap	22.25	kPa	425.12	Calculated Property
Pvap	37.77	kPa	443.56	Calculated Property
Pvap	61.01	kPa	462.01	Calculated Property
Pvap	94.37	kPa	480.45	Calculated Property
Pvap	140.58	kPa	498.90	Calculated Property
Pvap	202.64	kPa	517.34	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Nonanedione.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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