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

InChI

InChI=1S/C10H14F5NO3/c1-6(2)5-19-7(17)3-4-16-8(18)9(11,12)10(13,14)15/h6H,3-5H2,1-2H3,(H,16,18)

InChI Key

QAUNVMSVKLBRER-UHFFFAOYSA-N

Formula

C10H14F5NO3

SMILES

CC(C)COC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

291.22

• 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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfH°gas	-1743.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.77	kJ/mol	Joback Calculated Property
ΔvapH°	65.96	kJ/mol	Relay (1.0) Calculated Property
IE	10.29	eV	Relay (1.0) Calculated Property
logPoct/wat	1.889		Crippen Calculated Property
McVol	179.600	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[1266.00; 1266.00]
Inp	1266.00		NIST
Inp	1266.00		NIST
Tboil	484.41	K	Relay (1.0) Calculated Property
Tc	627.49	K	Relay (1.0) Calculated Property
Tfus	293.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[484.32; 548.43]	J/mol×K	[580.11; 745.53]
Cp,gas	484.32	J/mol×K	580.11	Joback Calculated Property
Cp,gas	496.73	J/mol×K	607.68	Joback Calculated Property
Cp,gas	508.41	J/mol×K	635.25	Joback Calculated Property
Cp,gas	519.39	J/mol×K	662.82	Joback Calculated Property
Cp,gas	529.70	J/mol×K	690.39	Joback Calculated Property
Cp,gas	539.37	J/mol×K	717.96	Joback Calculated Property
Cp,gas	548.43	J/mol×K	745.53	Joback Calculated Property

Similar Compounds

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