Chemical Properties of Cadaverine, bis-isoBOC

InChI

InChI=1S/C15H30N2O4/c1-12(2)10-20-14(18)16-8-6-5-7-9-17-15(19)21-11-13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19)

InChI Key

HTMCZNJVDGUXJL-UHFFFAOYSA-N

Formula

C15H30N2O4

SMILES

CC(C)COC(O)=NCCCCCN=C(O)OCC(C)C

Molecular Weight¹

302.41

• 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	-787.53	kJ/mol	Joback Calculated Property
ΔvapH°	93.17	kJ/mol	Joback Calculated Property
log10WS	-2.75		Crippen Calculated Property
logPoct/wat	3.330		Crippen Calculated Property
McVol	257.050	ml/mol	McGowan Calculated Property
Pc	1379.91	kPa	Joback Calculated Property
Inp	[2254.00; 2254.00]
Inp	2254.00		NIST
Inp	2254.00		NIST
Tboil	924.04	K	Joback Calculated Property
Tc	1131.32	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cadaverine, bis-isoBOC.

Sources

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

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