- InChI
- InChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3
- InChI Key
- MYWWWNVEZBAKHR-UHFFFAOYSA-N
- Formula
- C8H14O4S
- SMILES
- COC(=O)CCSCCC(=O)OC
- Molecular Weight1
- 206.26
- CAS
- 4131-74-2
- Other Names
-
- Dimethyl 3,3'-thiodipropionate
- «beta»,«beta»'-Dicarbomethoxydiethyl sulfide
- Bis(2-methoxycarbonylethyl)sulfide
- Dimethyl thiodipropionate
- Propionic acid, 3,3'-thiodi-, dimethyl ester
- Thiodipropionic acid dimethyl ester
- 3,3'-Thiobis(methyl propionate)
- dimethyl 3,3'-thiobispropionate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.6026 | Relay (1.0) Calculated Property | |
| ΔfG° | -418.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.846 | Crippen Calculated Property | |
| McVol | 154.810 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Tboil | 546.22 | K | Relay (1.0) Calculated Property |
| Tc | 717.07 | K | Relay (1.0) Calculated Property |
| Tfus | 262.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.559 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.17; 434.68] | J/mol×K | [603.80; 804.36] | 
|
| Cp,gas | 372.17 | J/mol×K | 603.80 | Joback Calculated Property |
| Cp,gas | 384.03 | J/mol×K | 637.23 | Joback Calculated Property |
| Cp,gas | 395.33 | J/mol×K | 670.65 | Joback Calculated Property |
| Cp,gas | 406.06 | J/mol×K | 704.08 | Joback Calculated Property |
| Cp,gas | 416.21 | J/mol×K | 737.51 | Joback Calculated Property |
| Cp,gas | 425.75 | J/mol×K | 770.94 | Joback Calculated Property |
| Cp,gas | 434.68 | J/mol×K | 804.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 421.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 3,3'-thiobis-, dimethyl ester.
Sources
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