Chemical Properties of Thymyl tiglate

InChI

InChI=1S/C15H20O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6-10H,1-5H3/b12-6+

InChI Key

UUEIVUJSJLKAAM-WUXMJOGZSA-N

Formula

C15H20O2

SMILES

C/C=C(\C)C(=O)Oc1cc(C)ccc1C(C)C

Molecular Weight¹

232.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[273.71; 646.38]	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			-6.20000e+00
Coefficient B			1.20200e+00
Coefficient C			-6.84020e-04
Coefficient D			1.34600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.71	J/mol×K	273.00	Calculated Property
Cp,gas	339.39	J/mol×K	353.78	Calculated Property
Cp,gas	398.01	J/mol×K	434.56	Calculated Property
Cp,gas	450.00	J/mol×K	515.33	Calculated Property
Cp,gas	495.77	J/mol×K	596.11	Calculated Property
Cp,gas	535.76	J/mol×K	676.89	Calculated Property
Cp,gas	570.39	J/mol×K	757.67	Calculated Property
Cp,gas	600.09	J/mol×K	838.44	Calculated Property
Cp,gas	625.27	J/mol×K	919.22	Calculated Property
Cp,gas	646.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thymyl tiglate.

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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