Chemical Properties of Nonanoic acid, 9-oxo-, ethyl ester (CAS 3433-16-7)

InChI

InChI=1S/C11H20O3/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h10H,2-9H2,1H3

InChI Key

RVICDIQCDUVBFK-UHFFFAOYSA-N

Formula

C11H20O3

SMILES

CCOC(=O)CCCCCCCC=O

Molecular Weight¹

200.27

CAS

3433-16-7

Other Names

• Ethyl 9-oxononanoate

• 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_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	0.6939		Relay (1.0) Calculated Property
ΔfG°	-368.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-674.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	71.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.479		Crippen Calculated Property
McVol	174.860	ml/mol	McGowan Calculated Property
Pc	2075.54	kPa	Joback Calculated Property
Inp	[1502.00; 1507.00]
Inp	1507.00		NIST
Inp	1502.00		NIST
Inp	1502.00		NIST
I	2160.00		NIST
Tboil	531.37	K	Relay (1.0) Calculated Property
Tc	714.63	K	Relay (1.0) Calculated Property
Tfus	276.93	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.08; 585.72]	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			2.96980e+01
Coefficient B			9.68520e-01
Coefficient C			-4.73000e-04
Coefficient D			6.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.08	J/mol×K	273.00	Calculated Property
Cp,gas	315.82	J/mol×K	353.78	Calculated Property
Cp,gas	366.22	J/mol×K	434.56	Calculated Property
Cp,gas	411.47	J/mol×K	515.33	Calculated Property
Cp,gas	451.78	J/mol×K	596.11	Calculated Property
Cp,gas	487.32	J/mol×K	676.89	Calculated Property
Cp,gas	518.30	J/mol×K	757.67	Calculated Property
Cp,gas	544.89	J/mol×K	838.44	Calculated Property
Cp,gas	567.30	J/mol×K	919.22	Calculated Property
Cp,gas	585.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044185; 0.0002962]	Pa×s	[298.06; 511.84]	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			-1.18923e+01
Coefficient B			1.92855e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			298.06
Temperature range, max.			511.84
η	0.0044185	Pa×s	298.06	Calculated Property
η	0.0027407	Pa×s	321.81	Calculated Property
η	0.0018154	Pa×s	345.57	Calculated Property
η	0.0012679	Pa×s	369.32	Calculated Property
η	0.0009248	Pa×s	393.07	Calculated Property
η	0.0006992	Pa×s	416.82	Calculated Property
η	0.0005449	Pa×s	440.58	Calculated Property
η	0.0004356	Pa×s	464.33	Calculated Property
η	0.0003558	Pa×s	488.08	Calculated Property
η	0.0002962	Pa×s	511.84	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 9-oxo-, ethyl ester.

Sources

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

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