Chemical Properties of Merresectine A

InChI

InChI=1S/C15H19NO3/c1-18-13-4-2-3-10(7-13)15(17)19-14-8-11-5-6-12(9-14)16-11/h2-4,7,11-12,14,16H,5-6,8-9H2,1H3/t11-,12+,14+

InChI Key

GWVGSKHNJYDCEQ-IMRBUKKESA-N

Formula

C15H19NO3

SMILES

COc1cccc(C(=O)OC2CC3CCC(C2)N3)c1

Molecular Weight¹

261.32

• 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	[602.10; 692.22]	J/mol×K	[738.87; 976.84]
Cp,gas	602.10	J/mol×K	738.87	Joback Calculated Property
Cp,gas	620.50	J/mol×K	778.53	Joback Calculated Property
Cp,gas	637.49	J/mol×K	818.19	Joback Calculated Property
Cp,gas	653.11	J/mol×K	857.85	Joback Calculated Property
Cp,gas	667.41	J/mol×K	897.52	Joback Calculated Property
Cp,gas	680.43	J/mol×K	937.18	Joback Calculated Property
Cp,gas	692.22	J/mol×K	976.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Merresectine A.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.