Chemical Properties of 4-Ketopimelic (CAS 502-50-1)

InChI

InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)

InChI Key

UDDSEESQRGPVIL-UHFFFAOYSA-N

Formula

C7H10O5

SMILES

O=C(O)CCC(=O)CCC(=O)O

Molecular Weight¹

174.15

CAS

502-50-1

Other Names

• «gamma»-Ketopimelic acid
• Heptanedioic acid, 4-oxo-
• 4-Oxoheptanedioic acid
• 4-Oxopimelic acid

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.15; 391.04]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.30840e+01
Coefficient B			7.42400e-01
Coefficient C			-4.83500e-04
Coefficient D			1.19060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.15	J/mol×K	273.00	Calculated Property
Cp,gas	220.49	J/mol×K	353.78	Calculated Property
Cp,gas	254.16	J/mol×K	434.56	Calculated Property
Cp,gas	283.56	J/mol×K	515.33	Calculated Property
Cp,gas	309.05	J/mol×K	596.11	Calculated Property
Cp,gas	331.00	J/mol×K	676.89	Calculated Property
Cp,gas	349.80	J/mol×K	757.67	Calculated Property
Cp,gas	365.83	J/mol×K	838.44	Calculated Property
Cp,gas	379.45	J/mol×K	919.22	Calculated Property
Cp,gas	391.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007154; 0.0003249]	Pa×s	[539.78; 638.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.23441e+01
Coefficient B			2.75363e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			539.78
Temperature range, max.			638.59
η	0.0007154	Pa×s	539.78	Calculated Property
η	0.0006462	Pa×s	550.76	Calculated Property
η	0.0005861	Pa×s	561.74	Calculated Property
η	0.0005335	Pa×s	572.72	Calculated Property
η	0.0004874	Pa×s	583.70	Calculated Property
η	0.0004467	Pa×s	594.67	Calculated Property
η	0.0004107	Pa×s	605.65	Calculated Property
η	0.0003788	Pa×s	616.63	Calculated Property
η	0.0003503	Pa×s	627.61	Calculated Property
η	0.0003249	Pa×s	638.59	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ketopimelic.

Sources

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

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