Chemical Properties of Urea, 1-(2-fluoroethyl)-3-phenyl- (CAS 331-07-7)

Urea, 1-(2-fluoroethyl)-3-phenyl-

InChI
InChI=1S/C9H11FN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13)
InChI Key
OFIOVEVMZIFQLI-UHFFFAOYSA-N
Formula
C9H11FN2O
SMILES
O=C(NCCF)Nc1ccccc1
Molecular Weight1
182.19
CAS
331-07-7
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° 27.98 kJ/mol Joback Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
log10WS -1.96 Relay (1.0) Calculated Property
logPoct/wat 1.778 Crippen Calculated Property
McVol 137.210 ml/mol McGowan Calculated Property
Tboil 556.11 K Relay (1.0) Calculated Property
Tfus 362.23 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [180.64; 434.99] 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-2.81680e+01
Coefficient B9.16100e-01
Coefficient C-5.91900e-04
Coefficient D1.38960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 180.64 J/mol×K 273.00 Calculated Property
Cp,gas 228.00 J/mol×K 353.78 Calculated Property
Cp,gas 269.56 J/mol×K 434.56 Calculated Property
Cp,gas 305.76 J/mol×K 515.33 Calculated Property
Cp,gas 337.03 J/mol×K 596.11 Calculated Property
Cp,gas 363.83 J/mol×K 676.89 Calculated Property
Cp,gas 386.59 J/mol×K 757.67 Calculated Property
Cp,gas 405.74 J/mol×K 838.44 Calculated Property
Cp,gas 421.73 J/mol×K 919.22 Calculated Property
Cp,gas 434.99 J/mol×K 1000.00 Calculated Property

Similar Compounds

Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-. Urea, N-ethyl-N'-phenyl-. Urea,1-phenyl-3-(2-iodoethyl)-. Urea, 1-(2-cyanoethyl)-3-phenyl-. Urea, 1-(2-chloroethyl)-3-(2-naphthyl)-. Urea, 1-(2-chloroethyl)-3-(m-chloropheneyl)-. 1-BUTYL-3-PHENYLUREA. Urea, 1,1'-o-phenylenebis[3-(2-chloroethyl)-. Urea, 1-(2-chloroethyl)-3-(p-methoxyphenyl)-. Urea, N-methyl-N'-phenyl-. Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-3-nitroso-. Benzoic acid, m-[3-(2-chloroethyl)ureido]-. Urea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-. Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-.

Find more compounds similar to Urea, 1-(2-fluoroethyl)-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.