- InChI
- InChI=1S/C28H38N2O8S2/c1-21-5-13-27(14-6-21)39(33,34)29(17-19-37-23(3)31)25-9-11-26(12-10-25)30(18-20-38-24(4)32)40(35,36)28-15-7-22(2)8-16-28/h5-8,13-16,25-26H,9-12,17-20H2,1-4H3
- InChI Key
- VENNTHBQQAJMQS-UHFFFAOYSA-N
- Formula
- C28H38N2O8S2
- SMILES
-
CC(=O)OCCN(C1CCC(N(CCOC(C)=O)S
(=O)(=O)c2ccc(C)cc2)CC1)S(=O)( =O)c1ccc(C)cc1 - Molecular Weight1
- 594.74
- 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° | -776.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1398.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 82.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 3.422 | Crippen Calculated Property | |
| McVol | 438.020 | ml/mol | McGowan Calculated Property |
| Pc | 1367.69 | kPa | Joback Calculated Property |
| Tboil | 1191.26 | K | Joback Calculated Property |
| Tc | 1465.13 | K | Joback Calculated Property |
| Tfus | 772.72 | K | Joback Calculated Property |
| Vc | 1.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1450.55; 1490.92] | J/mol×K | [1191.26; 1465.13] | 
|
| Cp,gas | 1489.00 | J/mol×K | 1191.26 | Joback Calculated Property |
| Cp,gas | 1490.92 | J/mol×K | 1236.91 | Joback Calculated Property |
| Cp,gas | 1489.42 | J/mol×K | 1282.55 | Joback Calculated Property |
| Cp,gas | 1484.56 | J/mol×K | 1328.20 | Joback Calculated Property |
| Cp,gas | 1476.41 | J/mol×K | 1373.84 | Joback Calculated Property |
| Cp,gas | 1465.05 | J/mol×K | 1419.49 | Joback Calculated Property |
| Cp,gas | 1450.55 | J/mol×K | 1465.13 | Joback Calculated Property |
Similar Compounds
Sources
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