- InChI
- InChI=1S/C14H26O6S/c1-3-5-9-19-13(15)7-11-21(17,18)12-8-14(16)20-10-6-4-2/h3-12H2,1-2H3
- InChI Key
- VUUQFLLRJFDANW-UHFFFAOYSA-N
- Formula
- C14H26O6S
- SMILES
-
CCCCOC(=O)CCS(=O)(=O)CCC(=O)OC
CCC - Molecular Weight1
- 322.42
- CAS
- 5423-27-8
- Other Names
-
- Dibutyl 3,3'-sulfonyldipropionate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -869.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1275.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.868 | Crippen Calculated Property | |
| McVol | 251.090 | ml/mol | McGowan Calculated Property |
| Pc | 1865.94 | kPa | Joback Calculated Property |
| Tboil | 720.08 | K | Joback Calculated Property |
| Tc | 896.14 | K | Joback Calculated Property |
| Tfus | 430.42 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.15; 794.03] | J/mol×K | [720.08; 896.14] | 
|
| Cp,gas | 715.15 | J/mol×K | 720.08 | Joback Calculated Property |
| Cp,gas | 730.43 | J/mol×K | 749.42 | Joback Calculated Property |
| Cp,gas | 744.87 | J/mol×K | 778.77 | Joback Calculated Property |
| Cp,gas | 758.46 | J/mol×K | 808.11 | Joback Calculated Property |
| Cp,gas | 771.18 | J/mol×K | 837.45 | Joback Calculated Property |
| Cp,gas | 783.04 | J/mol×K | 866.80 | Joback Calculated Property |
| Cp,gas | 794.03 | J/mol×K | 896.14 | Joback Calculated Property |
| ΔfusH | 31.40 | kJ/mol | 344.00 | NIST |
Similar Compounds
Find more compounds similar to Propionic acid, 3,3'-sulfonyldi-, dibutyl ester.
Sources
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