Chemical Properties of C-14 massoia lactone

InChI

InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3/t13-/m1/s1

InChI Key

CRCMEDPBLYDLQH-ZDUSSCGKSA-N

Formula

C14H24O2

SMILES

CCCCCCCCC[C@@H]1CC=CC(=O)O1

Molecular Weight¹

224.34

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[284.00; 699.93]	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			-3.20120e+01
Coefficient B			1.36432e+00
Coefficient C			-8.04280e-04
Coefficient D			1.71900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.00	J/mol×K	273.00	Calculated Property
Cp,gas	357.60	J/mol×K	353.78	Calculated Property
Cp,gas	423.09	J/mol×K	434.56	Calculated Property
Cp,gas	481.00	J/mol×K	515.33	Calculated Property
Cp,gas	531.89	J/mol×K	596.11	Calculated Property
Cp,gas	576.29	J/mol×K	676.89	Calculated Property
Cp,gas	614.75	J/mol×K	757.67	Calculated Property
Cp,gas	647.82	J/mol×K	838.44	Calculated Property
Cp,gas	676.03	J/mol×K	919.22	Calculated Property
Cp,gas	699.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033271; 0.0003313]	Pa×s	[305.05; 539.26]	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			-1.10168e+01
Coefficient B			1.62017e+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.			305.05
Temperature range, max.			539.26
η	0.0033271	Pa×s	305.05	Calculated Property
η	0.0021916	Pa×s	331.07	Calculated Property
η	0.0015342	Pa×s	357.10	Calculated Property
η	0.0011273	Pa×s	383.12	Calculated Property
η	0.0008614	Pa×s	409.14	Calculated Property
η	0.0006798	Pa×s	435.16	Calculated Property
η	0.0005510	Pa×s	461.19	Calculated Property
η	0.0004567	Pa×s	487.21	Calculated Property
η	0.0003859	Pa×s	513.23	Calculated Property
η	0.0003313	Pa×s	539.26	Calculated Property

Similar Compounds

Find more compounds similar to C-14 massoia lactone.

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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