Chemical Properties of 4,6-Dioxoheptanoic acid

InChI

InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)

InChI Key

WYEPBHZLDUPIOD-UHFFFAOYSA-N

Formula

C7H10O4

SMILES

CC(=O)CC(=O)CCC(=O)O

Molecular Weight¹

158.15

Other Names

• Heptanoic acid, 4,6-dioxo-
• SA

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	0.7440		Relay (1.0) Calculated Property
ΔfH°gas	-771.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.23	kJ/mol	Joback Calculated Property
ΔvapH°	83.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.55	eV	Relay (1.0) Calculated Property
log10WS	0.12		Relay (1.0) Calculated Property
logPoct/wat	0.399		Crippen Calculated Property
McVol	120.070	ml/mol	McGowan Calculated Property
Pc	3564.27	kPa	Joback Calculated Property
Inp	[1350.40; 1350.40]
Inp	1350.40		NIST
Inp	1350.40		NIST
Tboil	534.98	K	Relay (1.0) Calculated Property
Tc	749.94	K	Relay (1.0) Calculated Property
Tfus	365.67	K	Relay (1.0) Calculated Property
Vc	0.434	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.16; 340.83]	J/mol×K	[613.01; 816.30]
Cp,gas	294.16	J/mol×K	613.01	Joback Calculated Property
Cp,gas	303.21	J/mol×K	646.89	Joback Calculated Property
Cp,gas	311.73	J/mol×K	680.77	Joback Calculated Property
Cp,gas	319.73	J/mol×K	714.65	Joback Calculated Property
Cp,gas	327.23	J/mol×K	748.54	Joback Calculated Property
Cp,gas	334.26	J/mol×K	782.42	Joback Calculated Property
Cp,gas	340.83	J/mol×K	816.30	Joback Calculated Property
η	[0.0003056; 0.0014538]	Pa×s	[429.11; 613.01]
η	0.0014538	Pa×s	429.11	Joback Calculated Property
η	0.0010280	Pa×s	459.76	Joback Calculated Property
η	0.0007591	Pa×s	490.41	Joback Calculated Property
η	0.0005809	Pa×s	521.06	Joback Calculated Property
η	0.0004579	Pa×s	551.71	Joback Calculated Property
η	0.0003701	Pa×s	582.36	Joback Calculated Property
η	0.0003056	Pa×s	613.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,6-Dioxoheptanoic acid.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.