Chemical Properties of Benzofuranone, 2(3h)-, 3-(3-bromopropyl)-3-phenyl- (CAS 93323-03-6)

Benzofuranone, 2(3h)-, 3-(3-bromopropyl)-3-phenyl-

InChI
InChI=1S/C17H15BrO2/c18-12-6-11-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-16(17)19/h1-5,7-10H,6,11-12H2
InChI Key
GUZOMDMCWOJYEU-UHFFFAOYSA-N
Formula
C17H15BrO2
SMILES
O=C1Oc2ccccc2C1(CCCBr)c1ccccc1
Molecular Weight1
331.20
CAS
93323-03-6
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° 33.17 kJ/mol Joback Calculated Property
logPoct/wat 4.067 Crippen Calculated Property
McVol 216.950 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 [266.89; 656.97] 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-1.22467e+02
Coefficient B1.84690e+00
Coefficient C-1.71876e-03
Coefficient D6.51300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 266.89 J/mol×K 273.00 Calculated Property
Cp,gas 344.65 J/mol×K 353.78 Calculated Property
Cp,gas 408.99 J/mol×K 434.56 Calculated Property
Cp,gas 461.99 J/mol×K 515.33 Calculated Property
Cp,gas 505.69 J/mol×K 596.11 Calculated Property
Cp,gas 542.17 J/mol×K 676.89 Calculated Property
Cp,gas 573.48 J/mol×K 757.67 Calculated Property
Cp,gas 601.67 J/mol×K 838.44 Calculated Property
Cp,gas 628.82 J/mol×K 919.22 Calculated Property
Cp,gas 656.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzofuranone, 2(3h)-, 3-(2,3-dibromopropyl)-3-phenyl. 3-(Beta-methoxyethyl)-3-phenyl-2-benzofuranone. 2(3H)-Benzofuranone, 3-(«beta»-diethylaminoethyl)-3-phenyl-. 3-(Beta-morpholinoethyl)-3-phenyl-2-benzofuranone. 2(3H)- benzofuranone, 3-phenyl-3-(2-piperidinoethyl)-,. Furan-2(3h)-one, 5- (bromomethyl)-4,5-dihydro-3-(o-hydroxyphenyl)-3-phenyl-. Benzofuranone, 2(3h)-, 3-(beta-benzyloxyethyl)-3-phenyl-. 1-Benzoxepin-5-carboxylic acid,2,3,4,5-tetrahydro-3-hydroxy-5-phenyl-,gamma-lactone. 2,6-Methano-1,4-benzodioxocin-5(6h)-one, 2,3-dihydro-6-phenyl-. 5-Phenyl-2,3,4,5-tetrahydrobenzoxepin-5-carboxamide. Benzofuran- 2(3h)-one, 3-allyl-3-phenyl-,. Baptifoline. Nalmefene, bis(trifluoroacetate). N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Moexipril Me.

Find more compounds similar to Benzofuranone, 2(3h)-, 3-(3-bromopropyl)-3-phenyl-.

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.