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

InChI

InChI=1S/C22H38F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-19(29)16-17-28-20(30)21(23,24)22(25,26)27/h2-18H2,1H3,(H,28,30)

InChI Key

ZKBLPPOCZRMOPK-UHFFFAOYSA-N

Formula

C22H38F5NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

459.53

• 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).
• 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
ΔfG°	-1107.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1799.37	kJ/mol	Joback Calculated Property
ΔfusH°	62.79	kJ/mol	Joback Calculated Property
ΔvapH°	80.23	kJ/mol	Joback Calculated Property
log10WS	-7.84		Crippen Calculated Property
logPoct/wat	6.715		Crippen Calculated Property
McVol	348.680	ml/mol	McGowan Calculated Property
Pc	867.60	kPa	Joback Calculated Property
Inp	[2441.00; 2441.00]
Inp	2441.00		NIST
Inp	2441.00		NIST
Tboil	872.98	K	Joback Calculated Property
Tc	1071.32	K	Joback Calculated Property
Tfus	520.24	K	Joback Calculated Property
Vc	1.401	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1162.17; 1255.71]	J/mol×K	[872.98; 1071.32]
Cp,gas	1162.17	J/mol×K	872.98	Joback Calculated Property
Cp,gas	1180.34	J/mol×K	906.04	Joback Calculated Property
Cp,gas	1197.38	J/mol×K	939.09	Joback Calculated Property
Cp,gas	1213.35	J/mol×K	972.15	Joback Calculated Property
Cp,gas	1228.35	J/mol×K	1005.21	Joback Calculated Property
Cp,gas	1242.44	J/mol×K	1038.27	Joback Calculated Property
Cp,gas	1255.71	J/mol×K	1071.32	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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