Chemical Properties of (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate

InChI

InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3

InChI Key

CGBCCZZJVKUAMX-UHFFFAOYSA-N

Formula

C23H27ClO4

SMILES

CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C

Molecular Weight¹

402.92

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[1079.31; 1338.91]	J/mol×K	[1008.18; 1266.35]
Cp,gas	1079.31	J/mol×K	1008.18	Joback Calculated Property
Cp,gas	1113.77	J/mol×K	1051.21	Joback Calculated Property
Cp,gas	1151.03	J/mol×K	1094.24	Joback Calculated Property
Cp,gas	1191.63	J/mol×K	1137.27	Joback Calculated Property
Cp,gas	1236.12	J/mol×K	1180.30	Joback Calculated Property
Cp,gas	1285.03	J/mol×K	1223.33	Joback Calculated Property
Cp,gas	1338.91	J/mol×K	1266.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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