Chemical Properties of «beta»-Alanine, n-heptafluorobutyryl-, undecyl ester

InChI

InChI=1S/C18H28F7NO3/c1-2-3-4-5-6-7-8-9-10-13-29-14(27)11-12-26-15(28)16(19,20)17(21,22)18(23,24)25/h2-13H2,1H3,(H,26,28)

InChI Key

PBPQESVEGHCUJW-UHFFFAOYSA-N

Formula

C18H28F7NO3

SMILES

CCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

439.41

• 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°	-1527.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-2117.78	kJ/mol	Joback Calculated Property
ΔfusH°	51.18	kJ/mol	Joback Calculated Property
ΔvapH°	68.39	kJ/mol	Joback Calculated Property
log10WS	-6.47		Crippen Calculated Property
logPoct/wat	5.400		Crippen Calculated Property
McVol	295.860	ml/mol	McGowan Calculated Property
Pc	1052.77	kPa	Joback Calculated Property
Inp	[1988.00; 1988.00]
Inp	1988.00		NIST
Inp	1988.00		NIST
Tboil	776.77	K	Joback Calculated Property
Tc	951.52	K	Joback Calculated Property
Tfus	478.76	K	Joback Calculated Property
Vc	1.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.79; 1017.78]	J/mol×K	[776.77; 951.52]
Cp,gas	938.79	J/mol×K	776.77	Joback Calculated Property
Cp,gas	954.01	J/mol×K	805.90	Joback Calculated Property
Cp,gas	968.32	J/mol×K	835.02	Joback Calculated Property
Cp,gas	981.80	J/mol×K	864.15	Joback Calculated Property
Cp,gas	994.50	J/mol×K	893.27	Joback Calculated Property
Cp,gas	1006.47	J/mol×K	922.40	Joback Calculated Property
Cp,gas	1017.78	J/mol×K	951.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, n-heptafluorobutyryl-, undecyl ester.

Sources

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

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