![N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide](/cid/91-463-7/N-1-1-1-bis-p-toluenesulfonoxymethyl-propyl-p-toluenesulfonamide.png "N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide")
- InChI
- InChI=1S/C26H31NO8S3/c1-5-26(27-36(28,29)23-12-6-20(2)7-13-23,18-34-37(30,31)24-14-8-21(3)9-15-24)19-35-38(32,33)25-16-10-22(4)11-17-25/h6-17,27H,5,18-19H2,1-4H3
- InChI Key
- HSQMAXWVCAWBHW-UHFFFAOYSA-N
- Formula
- C26H31NO8S3
- SMILES
-
CCC(COS(=O)(=O)c1ccc(C)cc1)(CO
S(=O)(=O)c1ccc(C)cc1)NS(=O)(=O )c1ccc(C)cc1 - Molecular Weight1
- 581.72
- CAS
- 10405-51-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -1047.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1484.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 148.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 3.850 | Crippen Calculated Property | |
| McVol | 411.910 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Tboil | 1124.38 | K | Joback Calculated Property |
| Tc | 1376.62 | K | Joback Calculated Property |
| Tfus | 714.82 | K | Joback Calculated Property |
| Vc | 1.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.78; 1309.23] | J/mol×K | [1124.38; 1376.62] | 
|
| Cp,gas | 1305.50 | J/mol×K | 1124.38 | Joback Calculated Property |
| Cp,gas | 1308.77 | J/mol×K | 1166.42 | Joback Calculated Property |
| Cp,gas | 1309.23 | J/mol×K | 1208.46 | Joback Calculated Property |
| Cp,gas | 1306.93 | J/mol×K | 1250.50 | Joback Calculated Property |
| Cp,gas | 1301.90 | J/mol×K | 1292.54 | Joback Calculated Property |
| Cp,gas | 1294.17 | J/mol×K | 1334.58 | Joback Calculated Property |
| Cp,gas | 1283.78 | J/mol×K | 1376.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide.
Sources
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