Chemical Properties of 2,5-Octanedione (CAS 3214-41-3)

InChI

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

InChI Key

SPDFSSLYVRCMDZ-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCCC(=O)CCC(C)=O

Molecular Weight¹

142.20

CAS

3214-41-3

Other Names

• octane-2,5-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).
• I_np : Non-polar retention indices.
• 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
ω	0.5046		Relay (1.0) Calculated Property
ΔfG°	-241.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.67	kJ/mol	Joback Calculated Property
ΔvapH°	55.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-0.74		Relay (1.0) Calculated Property
logPoct/wat	1.725		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[960.00; 986.00]
Inp	980.00		NIST
Inp	983.00		NIST
Inp	960.00		NIST
Inp	980.00		NIST
Inp	985.00		NIST
Inp	986.00		NIST
Inp	960.00		NIST
Inp	980.00		NIST
Inp	983.00		NIST
I	1319.00		NIST
Tboil	474.15	K	Relay (1.0) Calculated Property
Tc	648.48	K	Relay (1.0) Calculated Property
Tfus	296.09	K	Relay (1.0) Calculated Property
Vc	0.465	m3/kmol	Relay (1.0) 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

Similar Compounds

Find more compounds similar to 2,5-Octanedione.

Sources

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

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