Chemical Properties of 9-Oxononanoic acid (CAS 2553-17-5)

InChI

InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)

InChI Key

WLGDDELKYAWBBL-UHFFFAOYSA-N

Formula

C9H16O3

SMILES

O=CCCCCCCCC(=O)O

Molecular Weight¹

172.22

CAS

2553-17-5

• 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.
• 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	0.8365		Relay (1.0) Calculated Property
ΔfG°	-418.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-661.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.50	kJ/mol	Joback Calculated Property
ΔvapH°	92.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-1.70		Relay (1.0) Calculated Property
logPoct/wat	2.001		Crippen Calculated Property
McVol	146.680	ml/mol	McGowan Calculated Property
Pc	2715.50	kPa	Joback Calculated Property
Inp	[1483.00; 1483.00]
Inp	1483.00		NIST
Inp	1483.00		NIST
Tboil	557.33	K	Relay (1.0) Calculated Property
Tc	765.53	K	Relay (1.0) Calculated Property
Tfus	342.13	K	Relay (1.0) Calculated Property
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.94; 485.21]	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			1.07070e+01
Coefficient B			8.84100e-01
Coefficient C			-5.31400e-04
Coefficient D			1.21800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.94	J/mol×K	273.00	Calculated Property
Cp,gas	262.37	J/mol×K	353.78	Calculated Property
Cp,gas	304.54	J/mol×K	434.56	Calculated Property
Cp,gas	341.86	J/mol×K	515.33	Calculated Property
Cp,gas	374.70	J/mol×K	596.11	Calculated Property
Cp,gas	403.44	J/mol×K	676.89	Calculated Property
Cp,gas	428.48	J/mol×K	757.67	Calculated Property
Cp,gas	450.20	J/mol×K	838.44	Calculated Property
Cp,gas	468.98	J/mol×K	919.22	Calculated Property
Cp,gas	485.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017380; 0.0003753]	Pa×s	[393.79; 550.59]	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			-1.17372e+01
Coefficient B			2.11945e+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.			393.79
Temperature range, max.			550.59
η	0.0017380	Pa×s	393.79	Calculated Property
η	0.0013836	Pa×s	411.21	Calculated Property
η	0.0011221	Pa×s	428.63	Calculated Property
η	0.0009250	Pa×s	446.06	Calculated Property
η	0.0007737	Pa×s	463.48	Calculated Property
η	0.0006556	Pa×s	480.90	Calculated Property
η	0.0005620	Pa×s	498.32	Calculated Property
η	0.0004868	Pa×s	515.75	Calculated Property
η	0.0004256	Pa×s	533.17	Calculated Property
η	0.0003753	Pa×s	550.59	Calculated Property

Similar Compounds

Find more compounds similar to 9-Oxononanoic acid.

Sources

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

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