Chemical Properties of Phenylthioacetic acid, 3,4-dichlorophenyl ester

Phenylthioacetic acid, 3,4-dichlorophenyl ester

InChI
InChI=1S/C14H10Cl2O2S/c15-12-7-6-10(8-13(12)16)18-14(17)9-19-11-4-2-1-3-5-11/h1-8H,9H2
InChI Key
BDFGZZWWXMDBOI-UHFFFAOYSA-N
Formula
C14H10Cl2O2S
SMILES
O=C(CSc1ccccc1)Oc1ccc(Cl)c(Cl)c1
Molecular Weight1
313.20
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
Δfus 36.21 kJ/mol Joback Calculated Property
logPoct/wat 4.691 Crippen Calculated Property
McVol 208.870 ml/mol McGowan Calculated Property
Inp [2235.00; 2235.00]   Show Hide
Inp 2235.00 NIST
Inp 2235.00 NIST

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [505.70; 555.51] J/mol×K [785.10; 1047.76] Show Hide
Cp,gas 505.70 J/mol×K 785.10 Joback Calculated Property
Cp,gas 517.19 J/mol×K 828.88 Joback Calculated Property
Cp,gas 527.35 J/mol×K 872.65 Joback Calculated Property
Cp,gas 536.21 J/mol×K 916.43 Joback Calculated Property
Cp,gas 543.83 J/mol×K 960.21 Joback Calculated Property
Cp,gas 550.25 J/mol×K 1003.99 Joback Calculated Property
Cp,gas 555.51 J/mol×K 1047.76 Joback Calculated Property

Similar Compounds

Phenylthioacetic acid, 4-chlorophenyl ester. Phenylthioacetic acid, 4-methoxyphenyl ester. Phenylthioacetic acid, 4-cyanophenyl ester. Phenylthioacetic acid, 3-methylphenyl ester. (Phenylthio)acetic acid, 1-naphthyl ester. Phenylthioacetic acid, 4-nitrophenyl ester. Phenylthioacetic acid, 3,5-dimethylphenyl ester. Glutaric acid, 2-fluorophenyl 2,3,5-trichlorophenyl ester. 4-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester. Glutaric acid, 2-fluorophenyl 2,4,5-trichlorophenyl ester. Succinic acid, 3,4-dimethylphenyl 2,3-dichlorophenyl ester. Glutaric acid, 2-fluorophenyl 2,3-dichlorophenyl ester. 2-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2,4,5-trichlorophenyl ester. 6-Chlorohexanoic acid, 3,4-dichlorophenyl ester.

Find more compounds similar to Phenylthioacetic acid, 3,4-dichlorophenyl ester.

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.