Chemical Properties of C-12 massoia lactone

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3/t11-/m0/s1

InChI Key

XPTXKXKPWKNYKB-NSHDSACASA-N

Formula

C12H20O2

SMILES

CCCCCCCC1CC=CC(=O)O1

Molecular Weight¹

196.29

• 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	[241.58; 596.75]	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			-3.01940e+01
Coefficient B			1.17432e+00
Coefficient C			-6.95480e-04
Coefficient D			1.48100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.58	J/mol×K	273.00	Calculated Property
Cp,gas	304.77	J/mol×K	353.78	Calculated Property
Cp,gas	360.93	J/mol×K	434.56	Calculated Property
Cp,gas	410.54	J/mol×K	515.33	Calculated Property
Cp,gas	454.07	J/mol×K	596.11	Calculated Property
Cp,gas	491.97	J/mol×K	676.89	Calculated Property
Cp,gas	524.72	J/mol×K	757.67	Calculated Property
Cp,gas	552.79	J/mol×K	838.44	Calculated Property
Cp,gas	576.64	J/mol×K	919.22	Calculated Property
Cp,gas	596.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033996; 0.0003547]	Pa×s	[282.51; 509.90]	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			-1.07524e+01
Coefficient B			1.43185e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			282.51
Temperature range, max.			509.90
η	0.0033996	Pa×s	282.51	Calculated Property
η	0.0022425	Pa×s	307.78	Calculated Property
η	0.0015756	Pa×s	333.04	Calculated Property
η	0.0011636	Pa×s	358.31	Calculated Property
η	0.0008943	Pa×s	383.57	Calculated Property
η	0.0007101	Pa×s	408.84	Calculated Property
η	0.0005791	Pa×s	434.10	Calculated Property
η	0.0004830	Pa×s	459.37	Calculated Property
η	0.0004106	Pa×s	484.64	Calculated Property
η	0.0003547	Pa×s	509.90	Calculated Property

Similar Compounds

Find more compounds similar to C-12 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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