Chemical Properties of 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate (CAS 10405-52-4)

2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate

PDF Excel Molecule Calculator
InChI
InChI=1S/C25H29NO8S3/c1-19-5-11-22(12-6-19)35(27,28)26-25(4,17-33-36(29,30)23-13-7-20(2)8-14-23)18-34-37(31,32)24-15-9-21(3)10-16-24/h5-16,26H,17-18H2,1-4H3
InChI Key
KFKHTTSOQOFXGU-UHFFFAOYSA-N
Formula
C25H29NO8S3
SMILES
Cc1ccc(S(=O)(=O)NC(C)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)cc1
Molecular Weight1
567.70
CAS
10405-52-4
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
ΔfG° -1055.43 kJ/mol Joback Calculated Property
ΔfH°gas -1463.92 kJ/mol Joback Calculated Property
ΔfusH° 75.66 kJ/mol Joback Calculated Property
ΔvapH° 145.92 kJ/mol Joback Calculated Property
log10WS -6.14 Crippen Calculated Property
logPoct/wat 3.460 Crippen Calculated Property
McVol 397.820 ml/mol McGowan Calculated Property
Pc 2053.03 kPa Joback Calculated Property
Tboil 1101.50 K Joback Calculated Property
Tc 1348.82 K Joback Calculated Property
Tfus 703.55 K Joback Calculated Property
Vc 1.550 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1233.49; 1254.24] J/mol×K [1101.50; 1348.82] Show Hide
Cp,gas 1248.90 J/mol×K 1101.50 Joback Calculated Property
Cp,gas 1252.90 J/mol×K 1142.72 Joback Calculated Property
Cp,gas 1254.24 J/mol×K 1183.94 Joback Calculated Property
Cp,gas 1252.94 J/mol×K 1225.16 Joback Calculated Property
Cp,gas 1249.02 J/mol×K 1266.38 Joback Calculated Property
Cp,gas 1242.53 J/mol×K 1307.60 Joback Calculated Property
Cp,gas 1233.49 J/mol×K 1348.82 Joback Calculated Property

Similar Compounds

2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol acetate p-toluenesulfonate. N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide. Betamethasone tetra-TMS. Retrorsine. Retrorcine. Senecionine. Integerrimine. Gynuramine. 9-Angeloylanacrotine. Usaramine. 3'-trans-cinnamoylindicine. 3'-cis-cinnamoylindicine. Epibaptifoline. Gelsemine. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate.

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.