Chemical Properties of Chloramben methyl

Chloramben methyl

InChI
InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
InChI Key
DTSSCQVCVYZGSI-UHFFFAOYSA-N
Formula
C8H7Cl2NO2
SMILES
COC(=O)c1cc(Cl)cc(N)c1Cl
Molecular Weight1
220.06
Other Names
  • 2,5-Dichloro-3-aminobenzoic acid, methyl ester
  • 3-Amino-2,5-dichlorobenzoic acid, methyl ester
  • Amchem 65-81-b
  • Amiben, methyl ester
  • Benzoic acid, 3-amino-2,5-dichloro-, methylated
  • Chloramben, methyl ester
  • Methyl 3-amino-2,5-dichlorobenzoate
  • Methyl chloramben
  • NSC 190368
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
ΔfH°gas -327.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.31 kJ/mol Joback Calculated Property
ΔvapH° 80.29 kJ/mol Relay (1.0) Calculated Property
IE 8.34 eV Relay (1.0) Calculated Property
log10WS -3.26 Aq. Solubility Prediction
logPoct/wat 2.362 Crippen Calculated Property
McVol 141.720 ml/mol McGowan Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Tboil 574.51 K Relay (1.0) Calculated Property
Tfus 335.09 ± 0.50 K NIST

Cheméo can also estimate Critical Temperature, Critical Volume, 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 [189.11; 365.03] 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 A6.22900e+01
Coefficient B5.27120e-01
Coefficient C-2.31080e-04
Coefficient D6.70000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 189.11 J/mol×K 273.00 Calculated Property
Cp,gas 220.15 J/mol×K 353.78 Calculated Property
Cp,gas 248.27 J/mol×K 434.56 Calculated Property
Cp,gas 273.48 J/mol×K 515.33 Calculated Property
Cp,gas 295.82 J/mol×K 596.11 Calculated Property
Cp,gas 315.29 J/mol×K 676.89 Calculated Property
Cp,gas 331.93 J/mol×K 757.67 Calculated Property
Cp,gas 345.75 J/mol×K 838.44 Calculated Property
Cp,gas 356.78 J/mol×K 919.22 Calculated Property
Cp,gas 365.03 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzoic acid, 3-amino-2,5-dichloro-. Benzoic acid, 3-amino-2,5-dichloro-. 3-Amino-2,5-dichlorobenzoic acid, N-dimethylaminomethylene-, methyl ester. 3-Amino-2,5-dichlorobenzoic acid, N-dimethylaminomethylene-, ethyl ester. Benzoic acid, 2-amino-5-chloro-, methyl ester. Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester. 3-Amino-4-chlorobenzoic acid. Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester. Benzoic acid, 3-amino-, methyl ester. Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, methyl ester. 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester. BENZOIC ACID, 2-CHLORO-3,5-DINITRO-. Benzoic acid, 3-(acetylamino)-, methyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester.

Find more compounds similar to Chloramben methyl.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.