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

464.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1405.83; 1604.24]	J/mol×K	[1074.52; 1317.76]
Cp,gas	1405.83	J/mol×K	1074.52	Joback Calculated Property
Cp,gas	1435.89	J/mol×K	1115.06	Joback Calculated Property
Cp,gas	1466.75	J/mol×K	1155.60	Joback Calculated Property
Cp,gas	1498.71	J/mol×K	1196.14	Joback Calculated Property
Cp,gas	1532.08	J/mol×K	1236.68	Joback Calculated Property
Cp,gas	1567.15	J/mol×K	1277.22	Joback Calculated Property
Cp,gas	1604.24	J/mol×K	1317.76	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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