Chemical Properties of 10-Oxodecanoic acid, methyl ester (CAS 14811-73-5)

InChI

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

InChI Key

LVPNLDGNIRVDRF-UHFFFAOYSA-N

Formula

C11H20O3

SMILES

COC(=O)CCCCCCCCC=O

Molecular Weight¹

200.27

CAS

14811-73-5

Other Names

• Methyl 10-oxodecanoate

• 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.
• I_p : 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	0.6981		Relay (1.0) Calculated Property
ΔfH°gas	-657.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	77.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-2.75		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	[1484.00; 1484.00]
Inp	1484.00		NIST
Inp	1484.00		NIST
Ip	[2091.00; 2091.00]
Ip	2091.00		NIST
Ip	2091.00		NIST
Tboil	534.05	K	Relay (1.0) Calculated Property
Tc	724.69	K	Relay (1.0) Calculated Property
Tfus	283.81	K	Relay (1.0) Calculated Property
Vc	0.664	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	[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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 10-Oxodecanoic acid, methyl ester.

Sources

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

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