Chemical Properties of suberyl glycine, PFP-TFE

InChI

InChI=1S/C17H18F11NO6/c18-14(19,20)8-34-11(31)6-4-2-1-3-5-10(30)29(7-12(32)35-9-15(21,22)23)13(33)16(24,25)17(26,27)28/h1-9H2

InChI Key

HVESCCCCIMTAHN-UHFFFAOYSA-N

Formula

C17H18F11NO6

SMILES

O=C(CCCCCCC(=O)N(CC(=O)OCC(F)(F)F)C(=O)C(F)(F)C(F)(F)F)OCC(F)(F)F

Molecular Weight¹

541.31

• 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°	-2654.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-3233.65	kJ/mol	Joback Calculated Property
ΔfusH°	55.80	kJ/mol	Joback Calculated Property
ΔvapH°	73.11	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.091		Crippen Calculated Property
McVol	297.860	ml/mol	McGowan Calculated Property
Pc	1072.87	kPa	Joback Calculated Property
Inp	[1697.00; 1697.00]
Inp	1697.00		NIST
Inp	1697.00		NIST
Tboil	840.17	K	Joback Calculated Property
Tc	1030.52	K	Joback Calculated Property
Tfus	574.17	K	Joback Calculated Property
Vc	1.220	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.75; 1018.94]	J/mol×K	[840.17; 1030.52]
Cp,gas	959.75	J/mol×K	840.17	Joback Calculated Property
Cp,gas	971.62	J/mol×K	871.90	Joback Calculated Property
Cp,gas	982.59	J/mol×K	903.62	Joback Calculated Property
Cp,gas	992.72	J/mol×K	935.35	Joback Calculated Property
Cp,gas	1002.10	J/mol×K	967.07	Joback Calculated Property
Cp,gas	1010.81	J/mol×K	998.80	Joback Calculated Property
Cp,gas	1018.94	J/mol×K	1030.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to suberyl glycine, PFP-TFE.

Sources

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

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