Chemical Properties of Buturon

Buturon

InChI
InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)
InChI Key
BYYMILHAKOURNM-UHFFFAOYSA-N
Formula
C12H13ClN2O
SMILES
C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1
Molecular Weight1
236.70
Other Names
  • 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea
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° 33.86 kJ/mol Joback Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS [-3.90; -3.90]   Show Hide
log10WS -3.90 Aq. Solubility Prediction
log10WS -3.90 Estimated Solubility
logPoct/wat 2.825 Crippen Calculated Property
McVol 181.350 ml/mol McGowan Calculated Property
Tfus 386.00 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 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 [239.86; 531.92] 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-7.18000e+00
Coefficient B1.09634e+00
Coefficient C-7.55190e-04
Coefficient D1.97950e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 239.86 J/mol×K 273.00 Calculated Property
Cp,gas 294.93 J/mol×K 353.78 Calculated Property
Cp,gas 342.88 J/mol×K 434.56 Calculated Property
Cp,gas 384.34 J/mol×K 515.33 Calculated Property
Cp,gas 419.94 J/mol×K 596.11 Calculated Property
Cp,gas 450.30 J/mol×K 676.89 Calculated Property
Cp,gas 476.05 J/mol×K 757.67 Calculated Property
Cp,gas 497.83 J/mol×K 838.44 Calculated Property
Cp,gas 516.24 J/mol×K 919.22 Calculated Property
Cp,gas 531.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

Buturon, HFBA. Urea, N-butyl-N'-(3,4-dichlorophenyl)-N-methyl-. Urea, n,n-dibutyl-n'-phenyl-. Pencycuron. Cytidine, N-methyl-, 2',3',5'-trimethyl ether. Urea, 1-(2',4'-di-tert-butylphenyl)-3,3-diethyl-. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Morazone. narwedine. Camoensidine. Cytisine, N-formyl-. Anagyrine. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. N-acetylcytisine.

Find more compounds similar to Buturon.

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.