Chemical Properties of .beta.-Alanine, N-pentafluoropropionyl-, heptyl ester

InChI

InChI=1S/C13H20F5NO3/c1-2-3-4-5-6-9-22-10(20)7-8-19-11(21)12(14,15)13(16,17)18/h2-9H2,1H3,(H,19,21)

InChI Key

WKDQUYFPTJNDAN-UHFFFAOYSA-N

Formula

C13H20F5NO3

SMILES

CCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

333.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.47; 712.30]	J/mol×K	[667.06; 832.86]
Cp,gas	642.47	J/mol×K	667.06	Joback Calculated Property
Cp,gas	655.84	J/mol×K	694.69	Joback Calculated Property
Cp,gas	668.48	J/mol×K	722.33	Joback Calculated Property
Cp,gas	680.41	J/mol×K	749.96	Joback Calculated Property
Cp,gas	691.67	J/mol×K	777.59	Joback Calculated Property
Cp,gas	702.29	J/mol×K	805.22	Joback Calculated Property
Cp,gas	712.30	J/mol×K	832.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to .beta.-Alanine, N-pentafluoropropionyl-, heptyl ester.

Sources

• Cheméo Relay (1.0)
• 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.