Chemical Properties of Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-methyl ester

InChI

InChI=1S/C26H40O7/c1-16(27)31-18-10-12-25(5)17(14-18)8-9-19-20(25)11-13-26(6,23(29)30-7)21(19)15-22(28)32-33-24(2,3)4/h8,18-21H,9-15H2,1-7H3

InChI Key

IKTQPPCFEIUQLK-UHFFFAOYSA-N

Formula

C26H40O7

SMILES

COC(=O)C1(C)CCC2C(CC=C3CC(OC(C)=O)CCC32C)C1CC(=O)OOC(C)(C)C

Molecular Weight¹

464.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[1367.40; 1536.07]	J/mol×K	[1020.51; 1254.45]
Cp,gas	1367.40	J/mol×K	1020.51	Joback Calculated Property
Cp,gas	1394.02	J/mol×K	1059.50	Joback Calculated Property
Cp,gas	1420.87	J/mol×K	1098.49	Joback Calculated Property
Cp,gas	1448.22	J/mol×K	1137.48	Joback Calculated Property
Cp,gas	1476.35	J/mol×K	1176.47	Joback Calculated Property
Cp,gas	1505.54	J/mol×K	1215.46	Joback Calculated Property
Cp,gas	1536.07	J/mol×K	1254.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-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

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