- InChI
- InChI=1S/C12H22O4S/c1-3-5-7-15-11(13)9-17-10-12(14)16-8-6-4-2/h3-10H2,1-2H3
- InChI Key
- RIQXZINBEMXOOE-UHFFFAOYSA-N
- Formula
- C12H22O4S
- SMILES
- CCCCOC(=O)CSCC(=O)OCCCC
- Molecular Weight1
- 262.37
- CAS
- 4121-12-4
- Other Names
-
- Thiodiglycollic acid dibutyl ester
- dibutyl 2,2'-thiobisacetate
- Thiodiglycolic acid, diethyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -384.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.406 | Crippen Calculated Property | |
| McVol | 211.170 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Tboil | 695.32 | K | Joback Calculated Property |
| Tc | 887.08 | K | Joback Calculated Property |
| Tfus | 403.72 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.69; 649.46] | J/mol×K | [695.32; 887.08] | 
|
| Cp,gas | 574.69 | J/mol×K | 695.32 | Joback Calculated Property |
| Cp,gas | 589.11 | J/mol×K | 727.28 | Joback Calculated Property |
| Cp,gas | 602.76 | J/mol×K | 759.24 | Joback Calculated Property |
| Cp,gas | 615.62 | J/mol×K | 791.20 | Joback Calculated Property |
| Cp,gas | 627.69 | J/mol×K | 823.16 | Joback Calculated Property |
| Cp,gas | 638.97 | J/mol×K | 855.12 | Joback Calculated Property |
| Cp,gas | 649.46 | J/mol×K | 887.08 | Joback Calculated Property |
| ΔvapH | 75.70 | kJ/mol | 340.50 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, 2,2'-thiobis-, dibutyl ester.
Sources
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