Chemical Properties of 2,4-Octanedione (CAS 14090-87-0)

InChI

InChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3-6H2,1-2H3

InChI Key

GJYXGIIWJFZCLN-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCCCC(=O)CC(C)=O

Molecular Weight¹

142.20

CAS

14090-87-0

Other Names

• 2,4-octadione
• octane-2,4-dione

• 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_np : Non-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°	-241.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.90	kJ/mol	NIST
ΔfusH°	19.67	kJ/mol	Joback Calculated Property
ΔvapH°	46.89	kJ/mol	Joback Calculated Property
log10WS	-1.56		Aq. Sol...
logPoct/wat	1.725		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[1079.34; 1091.42]
Inp	1079.34		NIST
Inp	1083.01		NIST
Inp	1086.32		NIST
Inp	1091.42		NIST
Tboil	490.18	K	Joback Calculated Property
Tc	675.94	K	Joback Calculated Property
Tfus	279.78	K	Joback Calculated Property
Vc	0.495	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.20; 338.27]	J/mol×K	[490.18; 675.94]
Cp,gas	275.20	J/mol×K	490.18	Joback Calculated Property
Cp,gas	286.97	J/mol×K	521.14	Joback Calculated Property
Cp,gas	298.23	J/mol×K	552.10	Joback Calculated Property
Cp,gas	308.97	J/mol×K	583.06	Joback Calculated Property
Cp,gas	319.22	J/mol×K	614.02	Joback Calculated Property
Cp,gas	328.98	J/mol×K	644.98	Joback Calculated Property
Cp,gas	338.27	J/mol×K	675.94	Joback Calculated Property
η	[0.0003340; 0.0036359]	Pa×s	[279.78; 490.18]
η	0.0036359	Pa×s	279.78	Joback Calculated Property
η	0.0019569	Pa×s	314.85	Joback Calculated Property
η	0.0011925	Pa×s	349.91	Joback Calculated Property
η	0.0007953	Pa×s	384.98	Joback Calculated Property
η	0.0005675	Pa×s	420.05	Joback Calculated Property
η	0.0004266	Pa×s	455.11	Joback Calculated Property
η	0.0003340	Pa×s	490.18	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[350.72; 489.82]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54134e+01
Coefficient B			-4.23073e+03
Coefficient C			-7.10180e+01
Temperature range, min.			350.72
Temperature range, max.			489.82
Pvap	1.33	kPa	350.72	Calculated Property
Pvap	2.94	kPa	366.18	Calculated Property
Pvap	6.01	kPa	381.63	Calculated Property
Pvap	11.46	kPa	397.09	Calculated Property
Pvap	20.61	kPa	412.54	Calculated Property
Pvap	35.23	kPa	428.00	Calculated Property
Pvap	57.62	kPa	443.45	Calculated Property
Pvap	90.60	kPa	458.91	Calculated Property
Pvap	137.60	kPa	474.36	Calculated Property
Pvap	202.65	kPa	489.82	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Octanedione.

Sources

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

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