Chemical Properties of 12-Methyl-oxa-cyclododecan-2-one

InChI

InChI=1S/C12H22O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h11H,2-10H2,1H3

InChI Key

IBLSRZGJYAOPLB-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

CC1CCCCCCCCCC(=O)O1

Molecular Weight¹

198.30

Other Names

• 11-Dodecanolide

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.70; 638.72]	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			-6.87000e+01
Coefficient B			1.17272e+00
Coefficient C			-4.29800e-04
Coefficient D			-3.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.70	J/mol×K	273.00	Calculated Property
Cp,gas	290.82	J/mol×K	353.78	Calculated Property
Cp,gas	356.84	J/mol×K	434.56	Calculated Property
Cp,gas	416.64	J/mol×K	515.33	Calculated Property
Cp,gas	470.12	J/mol×K	596.11	Calculated Property
Cp,gas	517.17	J/mol×K	676.89	Calculated Property
Cp,gas	557.66	J/mol×K	757.67	Calculated Property
Cp,gas	591.49	J/mol×K	838.44	Calculated Property
Cp,gas	618.55	J/mol×K	919.22	Calculated Property
Cp,gas	638.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0234017; 0.0000761]	Pa×s	[260.63; 556.59]	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			-1.45282e+01
Coefficient B			2.80783e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			260.63
Temperature range, max.			556.59
η	0.0234017	Pa×s	260.63	Calculated Property
η	0.0069993	Pa×s	293.51	Calculated Property
η	0.0026698	Pa×s	326.40	Calculated Property
η	0.0012149	Pa×s	359.28	Calculated Property
η	0.0006309	Pa×s	392.17	Calculated Property
η	0.0003625	Pa×s	425.05	Calculated Property
η	0.0002256	Pa×s	457.94	Calculated Property
η	0.0001496	Pa×s	490.82	Calculated Property
η	0.0001045	Pa×s	523.71	Calculated Property
η	0.0000761	Pa×s	556.59	Calculated Property

Similar Compounds

Find more compounds similar to 12-Methyl-oxa-cyclododecan-2-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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