Chemical Properties of Spermidine, N,N',N''-tris(pentafluoropropionyl)- (CAS 71387-77-4)

InChI

InChI=1S/C16H16F15N3O3/c17-11(18,14(23,24)25)8(35)32-4-1-2-6-34(10(37)13(21,22)16(29,30)31)7-3-5-33-9(36)12(19,20)15(26,27)28/h1-7H2,(H,32,35)(H,33,36)

InChI Key

GFDNBHOLOFEQME-UHFFFAOYSA-N

Formula

C16H16F15N3O3

SMILES

O=C(N(CCCCN=C(O)C(F)(F)C(F)(F)F)CCCN=C(O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

Molecular Weight¹

583.29

CAS

71387-77-4

Other Names

• 2,2,3,3,3-Pentafluoro-N-(4-[(2,2,3,3,3-pentafluoropropanoyl)amino]butyl)-N-(3-[(2,2,3,3,3-pentafluoropropanoyl)amino]propyl)propanamide

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-3572.37	kJ/mol	Joback Calculated Property
ΔvapH°	80.11	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	5.491		Crippen Calculated Property
McVol	297.500	ml/mol	McGowan Calculated Property
Pc	935.20	kPa	Joback Calculated Property
Inp	[1868.20; 1868.20]
Inp	1868.20		NIST
Inp	1868.20		NIST
Tboil	938.94	K	Joback Calculated Property
Tc	1175.36	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spermidine, N,N',N''-tris(pentafluoropropionyl)-.

Sources

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

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