- InChI
- InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18/h18H,2-14H2,1H3
- InChI Key
- ARNIBHATWCFIIK-UHFFFAOYSA-N
- Formula
- C15H30O2S
- SMILES
- CCCCCCCCCCCCOC(=O)CCS
- Molecular Weight1
- 274.46
- CAS
- 6380-71-8
- Other Names
-
- Dodecyl 3-mercaptopropionate
- Lauryl «beta»-mercaptopropionate
- Lauryl 3-mercaptopropionate
- Propionic acid, 3-mercapto-, dodecyl 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).
- 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° | -129.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.88 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.770 | Crippen Calculated Property | |
| McVol | 246.000 | ml/mol | McGowan Calculated Property |
| Pc | 1540.29 | kPa | Joback Calculated Property |
| Tboil | 681.75 | K | Joback Calculated Property |
| Tc | 863.36 | K | Joback Calculated Property |
| Tfus | 367.43 | K | Joback Calculated Property |
| Vc | 0.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.76; 775.09] | J/mol×K | [681.75; 863.36] | 
|
| Cp,gas | 683.76 | J/mol×K | 681.75 | Joback Calculated Property |
| Cp,gas | 700.99 | J/mol×K | 712.02 | Joback Calculated Property |
| Cp,gas | 717.40 | J/mol×K | 742.29 | Joback Calculated Property |
| Cp,gas | 732.99 | J/mol×K | 772.56 | Joback Calculated Property |
| Cp,gas | 747.79 | J/mol×K | 802.82 | Joback Calculated Property |
| Cp,gas | 761.82 | J/mol×K | 833.09 | Joback Calculated Property |
| Cp,gas | 775.09 | J/mol×K | 863.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-mercapto-, dodecyl ester.
Sources
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