Chemical Properties of Trinexapac-ethyl (CAS 95266-40-3)

InChI

InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-

InChI Key

RVKCCVTVZORVGD-QXMHVHEDSA-N

Formula

C13H16O5

SMILES

CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1

Molecular Weight¹

252.26

CAS

95266-40-3

Other Names

• Ethyl 4-(cyclopropyl-hydroxy-methylene)-3,5-dioxo-cyclohexane-1-carboxylate

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.76; 657.14]	J/mol×K	[833.76; 1059.77]
Cp,gas	594.76	J/mol×K	833.76	Joback Calculated Property
Cp,gas	608.26	J/mol×K	871.43	Joback Calculated Property
Cp,gas	620.53	J/mol×K	909.10	Joback Calculated Property
Cp,gas	631.56	J/mol×K	946.76	Joback Calculated Property
Cp,gas	641.34	J/mol×K	984.43	Joback Calculated Property
Cp,gas	649.87	J/mol×K	1022.10	Joback Calculated Property
Cp,gas	657.14	J/mol×K	1059.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trinexapac-ethyl.

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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