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

InChI

InChI=1S/C16H26F5NO3/c1-2-3-4-5-6-7-8-9-12-25-13(23)10-11-22-14(24)15(17,18)16(19,20)21/h2-12H2,1H3,(H,22,24)

InChI Key

WYJGCVHNNHDVBT-UHFFFAOYSA-N

Formula

C16H26F5NO3

SMILES

CCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

375.37

• 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	0.8943		Relay (... Calculated Property
ΔfG°	-1157.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1849.65	kJ/mol	Relay (... Calculated Property
ΔfusH°	47.25	kJ/mol	Joback Calculated Property
ΔvapH°	88.94	kJ/mol	Relay (... Calculated Property
IE	9.98	eV	Relay (... Calculated Property
log10WS	-5.33		Relay (... Calculated Property
logPoct/wat	4.374		Crippen Calculated Property
McVol	264.140	ml/mol	McGowan Calculated Property
Pc	1258.37	kPa	Joback Calculated Property
Inp	[1862.00; 1862.00]
Inp	1862.00		NIST
Inp	1862.00		NIST
Tboil	559.46	K	Relay (... Calculated Property
Tc	698.80	K	Relay (... Calculated Property
Tfus	308.05	K	Relay (... Calculated Property
Vc	0.984	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.17; 884.19]	J/mol×K	[735.70; 906.03]
Cp,gas	807.17	J/mol×K	735.70	Joback Calculated Property
Cp,gas	821.93	J/mol×K	764.09	Joback Calculated Property
Cp,gas	835.87	J/mol×K	792.48	Joback Calculated Property
Cp,gas	849.03	J/mol×K	820.87	Joback Calculated Property
Cp,gas	861.44	J/mol×K	849.25	Joback Calculated Property
Cp,gas	873.15	J/mol×K	877.64	Joback Calculated Property
Cp,gas	884.19	J/mol×K	906.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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