Chemical Properties of Fenalamide (CAS 4551-59-1)

Fenalamide

InChI
InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)
InChI Key
RMQKPRRJSKFBRU-UHFFFAOYSA-N
Formula
C19H30N2O3
SMILES
CCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1
Molecular Weight1
334.45
CAS
4551-59-1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 45.68 kJ/mol Joback Calculated Property
logPoct/wat 2.356 Crippen Calculated Property
McVol 283.780 ml/mol McGowan Calculated Property
Inp [2169.00; 2169.00]   Show Hide
Inp 2169.00 NIST
Inp 2169.00 NIST
Tfus 362.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [398.78; 954.55] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.18940e+01
Coefficient B1.97308e+00
Coefficient C-1.26070e-03
Coefficient D2.94060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 398.78 J/mol×K 273.00 Calculated Property
Cp,gas 501.37 J/mol×K 353.78 Calculated Property
Cp,gas 591.58 J/mol×K 434.56 Calculated Property
Cp,gas 670.34 J/mol×K 515.33 Calculated Property
Cp,gas 738.58 J/mol×K 596.11 Calculated Property
Cp,gas 797.23 J/mol×K 676.89 Calculated Property
Cp,gas 847.23 J/mol×K 757.67 Calculated Property
Cp,gas 889.49 J/mol×K 838.44 Calculated Property
Cp,gas 924.95 J/mol×K 919.22 Calculated Property
Cp,gas 954.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Butorphanol di-TMS derivative. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Tazettine. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Noscapine. Benazepril Me. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Hydrastine. cis-1,2-Tetralinediol, ferrocenylboronate. Zinc octaethylporphyrin chloride. ETHYL 2-(METHYLAMINO)-1-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE. Ritalinic acid, trimethylsilyl ester. uridine-2'(3')-monophosphate, TMS.

Find more compounds similar to Fenalamide.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.