Chemical Properties of ent-Trachyloban-3-one

InChI

InChI=1S/C20H30O/c1-17(2)14-5-8-20-10-13-12(19(13,4)11-20)9-15(20)18(14,3)7-6-16(17)21/h12-15H,5-11H2,1-4H3/t12-,13?,14?,15?,18+,19-,20?/m0/s1

InChI Key

DVXUPVLGDAAEFK-GWSLHTCTSA-N

Formula

C20H30O

SMILES

CC1(C)C(=O)CCC2(C)C3CC4C5CC3(CCC12)CC45C

Molecular Weight¹

286.45

• 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).
• I_np : Non-polar retention indices.
• 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	[811.53; 1002.12]	J/mol×K	[749.74; 1002.18]
Cp,gas	811.53	J/mol×K	749.74	Joback Calculated Property
Cp,gas	839.27	J/mol×K	791.81	Joback Calculated Property
Cp,gas	867.62	J/mol×K	833.89	Joback Calculated Property
Cp,gas	897.33	J/mol×K	875.96	Joback Calculated Property
Cp,gas	929.14	J/mol×K	918.03	Joback Calculated Property
Cp,gas	963.82	J/mol×K	960.11	Joback Calculated Property
Cp,gas	1002.12	J/mol×K	1002.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to ent-Trachyloban-3-one.

Sources

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

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