Chemical Properties of 1-(N-Benzyl-N-butanoyl)amino-6-(2-cycnoethyl)cyclohexene (CAS 85019-63-2)

1-(N-Benzyl-N-butanoyl)amino-6-(2-cycnoethyl)cyclohexene

InChI
InChI=1S/C20H26N2O/c1-2-9-20(23)22(16-17-10-4-3-5-11-17)19-14-7-6-12-18(19)13-8-15-21/h3-5,10-11,14,18H,2,6-9,12-13,16H2,1H3
InChI Key
NPUTWCIUHVADOH-UHFFFAOYSA-N
Formula
C20H26N2O
SMILES
CCCC(=O)N(Cc1ccccc1)C1=CCCCC1CCC#N
Molecular Weight1
310.43
CAS
85019-63-2
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° 40.39 kJ/mol Joback Calculated Property
logPoct/wat 4.803 Crippen Calculated Property
McVol 266.670 ml/mol McGowan Calculated Property

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, 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 [348.27; 886.88] 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-7.90550e+01
Coefficient B1.86222e+00
Coefficient C-1.15954e-03
Coefficient D2.63260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 348.27 J/mol×K 273.00 Calculated Property
Cp,gas 446.29 J/mol×K 353.78 Calculated Property
Cp,gas 532.82 J/mol×K 434.56 Calculated Property
Cp,gas 608.70 J/mol×K 515.33 Calculated Property
Cp,gas 674.76 J/mol×K 596.11 Calculated Property
Cp,gas 731.83 J/mol×K 676.89 Calculated Property
Cp,gas 780.75 J/mol×K 757.67 Calculated Property
Cp,gas 822.34 J/mol×K 838.44 Calculated Property
Cp,gas 857.44 J/mol×K 919.22 Calculated Property
Cp,gas 886.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-(N-Benzyl-N-pentanoyl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-3-methylbutanoyl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-propionyl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-isobutyryl)amino-6-(2-cyanoethyl)cyclohexene. 1-(N-Benzyl-N-acetyl)amino-6-(2-cyanoethyl)cyclohexene. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Pumiline A. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. 5,6-Dihydrouracil riboside, TMS. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Uridine, 2'-O-TBDMS, 3',5'-bis-O-TFA. Gelsemine.

Find more compounds similar to 1-(N-Benzyl-N-butanoyl)amino-6-(2-cycnoethyl)cyclohexene.

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.