Chemical Properties of «beta»-Alanine, n-pentafluoropropionyl-, nonyl ester

InChI

InChI=1S/C15H24F5NO3/c1-2-3-4-5-6-7-8-11-24-12(22)9-10-21-13(23)14(16,17)15(18,19)20/h2-11H2,1H3,(H,21,23)

InChI Key

BLFGOOAXXPPXMS-UHFFFAOYSA-N

Formula

C15H24F5NO3

SMILES

CCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

361.35

• 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	0.8577		Relay (... Calculated Property
ΔfG°	-1166.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1829.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.66	kJ/mol	Joback Calculated Property
ΔvapH°	84.59	kJ/mol	Relay (... Calculated Property
IE	9.99	eV	Relay (... Calculated Property
log10WS	-4.99		Relay (... Calculated Property
logPoct/wat	3.984		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[1758.00; 1758.00]
Inp	1758.00		NIST
Inp	1758.00		NIST
Tboil	548.48	K	Relay (... Calculated Property
Tc	687.97	K	Relay (... Calculated Property
Tfus	303.13	K	Relay (... Calculated Property
Vc	0.929	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[751.17; 825.82]	J/mol×K	[712.82; 881.08]
Cp,gas	751.17	J/mol×K	712.82	Joback Calculated Property
Cp,gas	765.47	J/mol×K	740.86	Joback Calculated Property
Cp,gas	778.97	J/mol×K	768.91	Joback Calculated Property
Cp,gas	791.72	J/mol×K	796.95	Joback Calculated Property
Cp,gas	803.76	J/mol×K	825.00	Joback Calculated Property
Cp,gas	815.11	J/mol×K	853.04	Joback Calculated Property
Cp,gas	825.82	J/mol×K	881.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, nonyl ester.

Sources

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

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