Chemical Properties of (2E,4E,12E)-13-(Benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide (CAS 55038-30-7)

InChI

InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+

InChI Key

FPMPOFBEYSSYDQ-AUVZEZIHSA-N

Formula

C24H33NO3

SMILES

CC(C)CN=C(O)C=CC=CCCCCCCC=Cc1ccc2c(c1)OCO2

Molecular Weight¹

383.52

CAS

55038-30-7

• 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	-229.38	kJ/mol	Joback Calculated Property
ΔvapH°	101.42	kJ/mol	Joback Calculated Property
log10WS	-7.23		Crippen Calculated Property
logPoct/wat	6.494		Crippen Calculated Property
McVol	324.790	ml/mol	McGowan Calculated Property
Pc	1172.83	kPa	Joback Calculated Property
Inp	[3481.00; 3481.00]
Inp	3481.00		NIST
Inp	3481.00		NIST
Tboil	1031.25	K	Joback Calculated Property
Tc	1263.15	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,4E,12E)-13-(Benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide.

Sources

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

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