Chemical Properties of Undecanoic acid, 10-oxo-, methyl ester (CAS 18993-09-4)

InChI

InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3

InChI Key

TXRMRSKJQBFMRQ-UHFFFAOYSA-N

Formula

C12H22O3

SMILES

COC(=O)CCCCCCCCC(C)=O

Molecular Weight¹

214.30

CAS

18993-09-4

Other Names

• Methyl 10-oxoundecanoate

• 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 : 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	0.7199		Relay (1.0) Calculated Property
ΔfH°gas	-713.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.80	kJ/mol	Joback Calculated Property
ΔvapH°	81.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.869		Crippen Calculated Property
McVol	188.950	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	1572.00		NIST
I	[2200.00; 2200.00]
I	2200.00		NIST
I	2200.00		NIST
Tboil	546.07	K	Relay (1.0) Calculated Property
Tc	728.21	K	Relay (1.0) Calculated Property
Tfus	293.49	K	Relay (1.0) Calculated Property
Vc	0.721	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[482.73; 562.65]	J/mol×K	[586.25; 761.64]
Cp,gas	482.73	J/mol×K	586.25	Joback Calculated Property
Cp,gas	497.71	J/mol×K	615.48	Joback Calculated Property
Cp,gas	512.00	J/mol×K	644.71	Joback Calculated Property
Cp,gas	525.64	J/mol×K	673.95	Joback Calculated Property
Cp,gas	538.62	J/mol×K	703.18	Joback Calculated Property
Cp,gas	550.95	J/mol×K	732.41	Joback Calculated Property
Cp,gas	562.65	J/mol×K	761.64	Joback Calculated Property
η	[0.0001771; 0.0035663]	Pa×s	[317.26; 586.25]
η	0.0035663	Pa×s	317.26	Joback Calculated Property
η	0.0015861	Pa×s	362.09	Joback Calculated Property
η	0.0008433	Pa×s	406.92	Joback Calculated Property
η	0.0005082	Pa×s	451.75	Joback Calculated Property
η	0.0003356	Pa×s	496.59	Joback Calculated Property
η	0.0002374	Pa×s	541.42	Joback Calculated Property
η	0.0001771	Pa×s	586.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Undecanoic acid, 10-oxo-, methyl ester.

Sources

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

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