Chemical Properties of Ketocaine (CAS 1092-46-2)

InChI

InChI=1S/C18H29NO2/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3

InChI Key

UXAWFWFJXIANHZ-UHFFFAOYSA-N

Formula

C18H29NO2

SMILES

CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C

Molecular Weight¹

291.43

CAS

1092-46-2

• 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	[752.95; 847.04]	J/mol×K	[730.75; 927.66]
Cp,gas	752.95	J/mol×K	730.75	Joback Calculated Property
Cp,gas	771.23	J/mol×K	763.57	Joback Calculated Property
Cp,gas	788.42	J/mol×K	796.39	Joback Calculated Property
Cp,gas	804.56	J/mol×K	829.20	Joback Calculated Property
Cp,gas	819.68	J/mol×K	862.02	Joback Calculated Property
Cp,gas	833.83	J/mol×K	894.84	Joback Calculated Property
Cp,gas	847.04	J/mol×K	927.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ketocaine.

Sources

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

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