- InChI
- InChI=1S/C24H30O8S/c25-15-3-1-5-17-31-23(27)19-7-11-21(12-8-19)33(29,30)22-13-9-20(10-14-22)24(28)32-18-6-2-4-16-26/h7-14,25-26H,1-6,15-18H2
- InChI Key
- SHLVXOQSMQFIJT-UHFFFAOYSA-N
- Formula
- C24H30O8S
- SMILES
-
O=C(OCCCCCO)c1ccc(S(=O)(=O)c2c
cc(C(=O)OCCCCCO)cc2)cc1 - Molecular Weight1
- 478.56
- CAS
- 102955-13-5
- 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° | -853.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1335.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 356.210 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Tboil | 1196.56 | K | Joback Calculated Property |
| Tc | 1494.72 | K | Joback Calculated Property |
| Tfus | 742.64 | K | Joback Calculated Property |
| Vc | 1.375 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.53; 1186.04] | J/mol×K | [1196.56; 1494.72] | 
|
| Cp,gas | 1180.59 | J/mol×K | 1196.56 | Joback Calculated Property |
| Cp,gas | 1184.69 | J/mol×K | 1246.25 | Joback Calculated Property |
| Cp,gas | 1186.04 | J/mol×K | 1295.95 | Joback Calculated Property |
| Cp,gas | 1184.72 | J/mol×K | 1345.64 | Joback Calculated Property |
| Cp,gas | 1180.81 | J/mol×K | 1395.33 | Joback Calculated Property |
| Cp,gas | 1174.39 | J/mol×K | 1445.03 | Joback Calculated Property |
| Cp,gas | 1165.53 | J/mol×K | 1494.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfonyl bis(p,p'-benzoic acid) 5-hydroxy pentyl ester.
Sources
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