- InChI
- InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H3
- InChI Key
- TVMDUMQNXXNGMG-UHFFFAOYSA-N
- Formula
- C14H28O2S
- SMILES
- CCCCCCCCCCCCOC(=O)CS
- Molecular Weight1
- 260.44
- CAS
- 3746-39-2
- Other Names
-
- Acetic acid, mercapto-, dodecyl ester
- dodecyl mercaptoacetate
- 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).
- 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 | 0.8440 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -630.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.380 | Crippen Calculated Property | |
| McVol | 231.910 | ml/mol | McGowan Calculated Property |
| Pc | 1663.26 | kPa | Joback Calculated Property |
| Tboil | 584.46 | K | Relay (1.0) Calculated Property |
| Tc | 771.29 | K | Relay (1.0) Calculated Property |
| Tfus | 284.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.71; 717.93] | J/mol×K | [658.87; 841.40] | 
|
| Cp,gas | 628.71 | J/mol×K | 658.87 | Joback Calculated Property |
| Cp,gas | 645.51 | J/mol×K | 689.29 | Joback Calculated Property |
| Cp,gas | 661.52 | J/mol×K | 719.71 | Joback Calculated Property |
| Cp,gas | 676.75 | J/mol×K | 750.14 | Joback Calculated Property |
| Cp,gas | 691.22 | J/mol×K | 780.56 | Joback Calculated Property |
| Cp,gas | 704.94 | J/mol×K | 810.98 | Joback Calculated Property |
| Cp,gas | 717.93 | J/mol×K | 841.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Dodecyl thioglycolate.
Sources
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