Chemical Properties of Ilicic acid, methyl ester

InChI

InChI=1S/C16H26O3/c1-11(14(17)19-4)12-6-9-15(2)7-5-8-16(3,18)13(15)10-12/h12-13,18H,1,5-10H2,2-4H3/t12?,13?,15-,16-/m1/s1

InChI Key

PMRPCJXLEQCTBH-BGHVQYPCSA-N

Formula

C16H26O3

SMILES

C=C(C(=O)OC)C1CC[C@@]2(C)CCC[C@@](C)(O)C2C1

Molecular Weight¹

266.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[294.31; 837.35]	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			-1.92710e+02
Coefficient B			2.27716e+00
Coefficient C			-2.01680e-03
Coefficient D			7.69700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.31	J/mol×K	273.00	Calculated Property
Cp,gas	394.56	J/mol×K	353.78	Calculated Property
Cp,gas	479.16	J/mol×K	434.56	Calculated Property
Cp,gas	550.53	J/mol×K	515.33	Calculated Property
Cp,gas	611.11	J/mol×K	596.11	Calculated Property
Cp,gas	663.33	J/mol×K	676.89	Calculated Property
Cp,gas	709.63	J/mol×K	757.67	Calculated Property
Cp,gas	752.45	J/mol×K	838.44	Calculated Property
Cp,gas	794.21	J/mol×K	919.22	Calculated Property
Cp,gas	837.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ilicic acid, methyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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