Chemical Properties of Cropropamide (CAS 633-47-6)

InChI

InChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3/b9-6+

InChI Key

CYZWCBZIBJLKCV-RMKNXTFCSA-N

Formula

C13H24N2O2

SMILES

CC=CC(=O)N(CCC)C(CC)C(=O)N(C)C

Molecular Weight¹

240.34

CAS

633-47-6

Other Names

• 2-Butenamide, N-[1-[(dimethylamino)carbonyl]propyl]-N-propyl-
• 2-Butenamide, N1-(1-[(dimethylamino)carbonyl]propyl)-N1-propyl
• N-(1-[(Dimethylamino)carbonyl]propyl)-n-propyl-2-butenamide
• Cropropamidum
• Crotonamide, N-(1-(dimethylcarbamoyl)propyl)-N-propyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.34	kJ/mol	Joback Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
logPoct/wat	1.668		Crippen Calculated Property
McVol	212.830	ml/mol	McGowan Calculated Property
Inp	[1706.00; 1737.00]
Inp	1706.00		NIST
Inp	1715.00		NIST
Inp	1737.00		NIST
Inp	1706.00		NIST
Inp	1715.00		NIST
Inp	1737.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.51; 653.67]	J/mol×K	[633.38; 816.76]
Cp,gas	569.51	J/mol×K	633.38	Joback Calculated Property
Cp,gas	585.58	J/mol×K	663.94	Joback Calculated Property
Cp,gas	600.77	J/mol×K	694.51	Joback Calculated Property
Cp,gas	615.13	J/mol×K	725.07	Joback Calculated Property
Cp,gas	628.71	J/mol×K	755.64	Joback Calculated Property
Cp,gas	641.54	J/mol×K	786.20	Joback Calculated Property
Cp,gas	653.67	J/mol×K	816.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cropropamide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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