Chemical Properties of Halfenprox (CAS 111872-58-3)

Halfenprox

InChI
InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
InChI Key
WIFXJBMOTMKRMM-UHFFFAOYSA-N
Formula
C24H23BrF2O3
SMILES
CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1
Molecular Weight1
477.34
CAS
111872-58-3
Other Names
  • Benzene, 1-[[2-[4-(bromodifluoromethoxy)phenyl]-2-methylpropoxy]methyl]-3-phenoxy-
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° 39.44 kJ/mol Joback Calculated Property
log10WS -8.06 Relay (1.0) Calculated Property
logPoct/wat 7.297 Crippen Calculated Property
McVol 316.390 ml/mol McGowan Calculated Property
Inp [2841.00; 2841.00]   Show Hide
Inp 2841.00 NIST
Inp 2841.00 NIST
Tfus 306.24 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 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 [965.59; 1030.18] J/mol×K [964.02; 1208.87] Show Hide
Cp,gas 965.59 J/mol×K 964.02 Joback Calculated Property
Cp,gas 979.02 J/mol×K 1004.83 Joback Calculated Property
Cp,gas 991.22 J/mol×K 1045.64 Joback Calculated Property
Cp,gas 1002.29 J/mol×K 1086.44 Joback Calculated Property
Cp,gas 1012.39 J/mol×K 1127.25 Joback Calculated Property
Cp,gas 1021.64 J/mol×K 1168.06 Joback Calculated Property
Cp,gas 1030.18 J/mol×K 1208.87 Joback Calculated Property

Similar Compounds

Etofenprox. N-Desmethyl-cis-tramadol, N-trimethylsilyl-, trimethylsilyl ether. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-) AC. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. FLUCYTHRINATE. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Nomifemsine M(HO), diacetylated, isomer # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Argentamin. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate.

Find more compounds similar to Halfenprox.

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.