Chemical Properties of Nonanoic acid, 9-oxo-, methyl ester (CAS 1931-63-1)

InChI

InChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3

InChI Key

JMLYDLZRFNYHHO-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

COC(=O)CCCCCCCC=O

Molecular Weight¹

186.25

CAS

1931-63-1

Other Names

• Azelaaldehydic acid, methyl ester
• Methyl azelaaldehydate
• Methyl 8-formyloctanoate
• Methyl 9-oxononanoate
• 9-Oxononanoic acid methyl ester

• 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	0.6618		Relay (1.0) Calculated Property
ΔfH°gas	-636.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.31	kJ/mol	Joback Calculated Property
ΔvapH°	72.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	2.089		Crippen Calculated Property
McVol	160.770	ml/mol	McGowan Calculated Property
Pc	2269.73	kPa	Joback Calculated Property
Inp	[1436.00; 1439.00]
Inp	1439.00		NIST
Inp	1436.00		NIST
Inp	1436.00		NIST
Inp	1436.00		NIST
Tboil	519.89	K	Relay (1.0) Calculated Property
Tc	711.05	K	Relay (1.0) Calculated Property
Tfus	274.91	K	Relay (1.0) Calculated Property
Vc	0.608	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.87; 534.13]	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			3.06070e+01
Coefficient B			8.73520e-01
Coefficient C			-4.18600e-04
Coefficient D			4.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.87	J/mol×K	273.00	Calculated Property
Cp,gas	289.40	J/mol×K	353.78	Calculated Property
Cp,gas	335.14	J/mol×K	434.56	Calculated Property
Cp,gas	376.25	J/mol×K	515.33	Calculated Property
Cp,gas	412.87	J/mol×K	596.11	Calculated Property
Cp,gas	445.16	J/mol×K	676.89	Calculated Property
Cp,gas	473.28	J/mol×K	757.67	Calculated Property
Cp,gas	497.38	J/mol×K	838.44	Calculated Property
Cp,gas	517.61	J/mol×K	919.22	Calculated Property
Cp,gas	534.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046559; 0.0003117]	Pa×s	[286.79; 496.78]	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			-1.17659e+01
Coefficient B			1.83439e+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.			286.79
Temperature range, max.			496.78
η	0.0046559	Pa×s	286.79	Calculated Property
η	0.0028775	Pa×s	310.12	Calculated Property
η	0.0019023	Pa×s	333.45	Calculated Property
η	0.0013275	Pa×s	356.79	Calculated Property
η	0.0009682	Pa×s	380.12	Calculated Property
η	0.0007324	Pa×s	403.45	Calculated Property
η	0.0005712	Pa×s	426.78	Calculated Property
η	0.0004572	Pa×s	450.11	Calculated Property
η	0.0003740	Pa×s	473.44	Calculated Property
η	0.0003117	Pa×s	496.78	Calculated Property

Similar Compounds

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

Sources

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

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