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

InChI

InChI=1S/C17H28F5NO3/c1-2-3-4-5-6-7-8-9-10-13-26-14(24)11-12-23-15(25)16(18,19)17(20,21)22/h2-13H2,1H3,(H,23,25)

InChI Key

ZSEBBVAQLWHJMQ-UHFFFAOYSA-N

Formula

C17H28F5NO3

SMILES

CCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

389.40

• 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	[864.18; 943.61]	J/mol×K	[758.58; 931.61]
Cp,gas	864.18	J/mol×K	758.58	Joback Calculated Property
Cp,gas	879.42	J/mol×K	787.42	Joback Calculated Property
Cp,gas	893.81	J/mol×K	816.26	Joback Calculated Property
Cp,gas	907.37	J/mol×K	845.10	Joback Calculated Property
Cp,gas	920.17	J/mol×K	873.93	Joback Calculated Property
Cp,gas	932.23	J/mol×K	902.77	Joback Calculated Property
Cp,gas	943.61	J/mol×K	931.61	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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