- InChI
- InChI=1S/C17H34OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(18)16-19/h19H,2-16H2,1H3
- InChI Key
- MNNWFOGLHGABKN-UHFFFAOYSA-N
- Formula
- C17H34OS
- SMILES
- CCCCCCCCCCCCCCCC(=O)CS
- Molecular Weight1
- 286.52
- CAS
- 76078-79-0
- 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).
- I : Polar retention indices.
- 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° | -7.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.92 | kJ/mol | Joback Calculated Property |
| log10WS | -6.29 | Crippen Calculated Property | |
| logPoct/wat | 5.967 | Crippen Calculated Property | |
| McVol | 268.310 | ml/mol | McGowan Calculated Property |
| Pc | 1348.67 | kPa | Joback Calculated Property |
| I | [2397.00; 2397.00] |
|
|
| I | 2397.00 | NIST | |
| I | 2397.00 | NIST | |
| Tboil | 705.09 | K | Joback Calculated Property |
| Tc | 885.65 | K | Joback Calculated Property |
| Tfus | 367.74 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.61; 863.51] | J/mol×K | [705.09; 885.65] |
|
| Cp,gas | 766.61 | J/mol×K | 705.09 | Joback Calculated Property |
| Cp,gas | 784.88 | J/mol×K | 735.18 | Joback Calculated Property |
| Cp,gas | 802.26 | J/mol×K | 765.28 | Joback Calculated Property |
| Cp,gas | 818.79 | J/mol×K | 795.37 | Joback Calculated Property |
| Cp,gas | 834.48 | J/mol×K | 825.46 | Joback Calculated Property |
| Cp,gas | 849.38 | J/mol×K | 855.56 | Joback Calculated Property |
| Cp,gas | 863.51 | J/mol×K | 885.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Mercapto-2-heptadecanone.
Sources
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