Chemical Properties of N-Isobutyl-11-(3,4-methylenedioxyphenyl)-2E,4E,10E-undecatrienoic amide (CAS 54794-74-0)

InChI

InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+

InChI Key

RPOYGOULCHMVBB-ADDDGJNWSA-N

Formula

C22H29NO3

SMILES

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

Molecular Weight¹

355.47

CAS

54794-74-0

Other Names

• (2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylundeca-2,4,10-trienamide

• 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	-188.10	kJ/mol	Joback Calculated Property
ΔvapH°	96.97	kJ/mol	Joback Calculated Property
log10WS	-6.40		Crippen Calculated Property
logPoct/wat	5.714		Crippen Calculated Property
McVol	296.610	ml/mol	McGowan Calculated Property
Pc	1343.73	kPa	Joback Calculated Property
Inp	[2786.80; 2786.80]
Inp	2786.80		NIST
Inp	2786.80		NIST
Tboil	985.49	K	Joback Calculated Property
Tc	1211.44	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Isobutyl-11-(3,4-methylenedioxyphenyl)-2E,4E,10E-undecatrienoic amide.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.