Chemical Properties of 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol acetate p-toluenesulfonate

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

InChI
InChI=1S/C20H25NO7S2/c1-15-5-9-18(10-6-15)29(23,24)21-20(4,13-27-17(3)22)14-28-30(25,26)19-11-7-16(2)8-12-19/h5-12,21H,13-14H2,1-4H3
InChI Key
IFERCIXUYCPJIU-UHFFFAOYSA-N
Formula
C20H25NO7S2
SMILES
CC(=O)OCC(C)(COS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1
Molecular Weight1
455.55
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Physical Properties

Property Value Unit Source
ω 0.9685 Relay (1.0) Calculated Property
ΔfG° -860.69 kJ/mol Joback Calculated Property
ΔfH°gas -1048.64 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 59.28 kJ/mol Joback Calculated Property
ΔvapH° 143.59 kJ/mol Relay (1.0) Calculated Property
IE 8.17 eV Relay (1.0) Calculated Property
log10WS -3.90 Relay (1.0) Calculated Property
logPoct/wat 2.309 Crippen Calculated Property
McVol 324.610 ml/mol McGowan Calculated Property
Pc 2193.84 kPa Joback Calculated Property
Tboil 743.50 K Relay (1.0) Calculated Property
Tc 1017.85 K Relay (1.0) Calculated Property
Tfus 380.93 K Relay (1.0) Calculated Property
Vc 1.149 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1000.05; 1036.55] J/mol×K [961.53; 1185.72] Show Hide
Cp,gas 1000.05 J/mol×K 961.53 Joback Calculated Property
Cp,gas 1010.57 J/mol×K 998.90 Joback Calculated Property
Cp,gas 1019.29 J/mol×K 1036.26 Joback Calculated Property
Cp,gas 1026.22 J/mol×K 1073.63 Joback Calculated Property
Cp,gas 1031.40 J/mol×K 1110.99 Joback Calculated Property
Cp,gas 1034.83 J/mol×K 1148.36 Joback Calculated Property
Cp,gas 1036.55 J/mol×K 1185.72 Joback Calculated Property

Similar Compounds

2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate. N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide. Betamethasone tetra-TMS. azadirachtin. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Benazepril Me. 3'-dihydrocinnamoylindicine. Nomifensine M(HO-methoxy), diacetylated. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

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

Sources

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