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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ω	0.6444		Relay (1.0) Calculated Property
ΔfG°	-1210.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1743.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.19	kJ/mol	Joback Calculated Property
ΔvapH°	65.07	kJ/mol	Relay (1.0) Calculated Property
IE	10.29	eV	Relay (1.0) Calculated Property
log10WS	-2.93		Relay (1.0) Calculated Property
logPoct/wat	1.889		Crippen Calculated Property
McVol	179.600	ml/mol	McGowan Calculated Property
Pc	2001.91	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	623.94	K	Relay (1.0) Calculated Property
Tfus	295.34	K	Relay (1.0) Calculated Property
Vc	0.657	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[489.24; 551.89]	J/mol×K	[597.98; 765.95]
Cp,gas	489.24	J/mol×K	597.98	Joback Calculated Property
Cp,gas	501.32	J/mol×K	625.97	Joback Calculated Property
Cp,gas	512.71	J/mol×K	653.97	Joback Calculated Property
Cp,gas	523.43	J/mol×K	681.96	Joback Calculated Property
Cp,gas	533.51	J/mol×K	709.96	Joback Calculated Property
Cp,gas	542.99	J/mol×K	737.95	Joback Calculated Property
Cp,gas	551.89	J/mol×K	765.95	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

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