please re-login

Chemical Properties of METHYL 4-TERT-BUTYL-DITHIABENZOATE

METHYL 4-TERT-BUTYL-DITHIABENZOATE

InChI
InChI=1S/C12H16S2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChI Key
XGVNDLXEGXTPBM-UHFFFAOYSA-N
Formula
C12H16S2
SMILES
CSC(=S)c1ccc(C(C)(C)C)cc1
Molecular Weight1
224.39
Other Names
  • Methyl 4-tert-butylbenzenecarbodithioate
  • Benzenecarbodithioic acid, 4-(1,1-dimethylethyl)-, methyl ester
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 12.14 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.81 kJ/mol Joback Calculated Property
ΔvapH° 92.00 kJ/mol Relay (1.0) Calculated Property
IE 7.99 eV Relay (1.0) Calculated Property
log10WS -5.70 Relay (1.0) Calculated Property
logPoct/wat 4.023 Crippen Calculated Property
McVol 184.580 ml/mol McGowan Calculated Property
Pc 2695.80 kPa Joback Calculated Property
Tboil 562.32 K Relay (1.0) Calculated Property
Tc 781.32 K Relay (1.0) Calculated Property
Tfus 352.19 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [440.27; 517.58] J/mol×K [641.21; 899.57] Show Hide
Cp,gas 440.27 J/mol×K 641.21 Joback Calculated Property
Cp,gas 455.99 J/mol×K 684.27 Joback Calculated Property
Cp,gas 470.40 J/mol×K 727.33 Joback Calculated Property
Cp,gas 483.63 J/mol×K 770.39 Joback Calculated Property
Cp,gas 495.81 J/mol×K 813.45 Joback Calculated Property
Cp,gas 507.08 J/mol×K 856.51 Joback Calculated Property
Cp,gas 517.58 J/mol×K 899.57 Joback Calculated Property

Similar Compounds

Benzoyl chloride, 4-(1,1-dimethylethyl)-. 1,4-Ditertiary butylbenzene. 4-TERT-BUTYL-1(1-THIOXO-2,2-DIMETHYL-PROPYL)-BENZENE. 4-t-Butylbenzonitrile. Benzoic acid, p-tert-butyl-. 4-tert-butylbenzaldehyde. Benzenemethanol, 4-(1,1-dimethylethyl)-. 4-tert-Butyltoluene. Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-. Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-. Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-. Benzene, tert-butyl-. Methyl 4-tert-butylbenzoate. Benzene, 1,3-bis(1,1-dimethylethyl)-. 1-Tert-butyl-4-isopropylbenzene.

Find more compounds similar to METHYL 4-TERT-BUTYL-DITHIABENZOATE.

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.