- InChI
- InChI=1S/C8H16OS/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
- InChI Key
- XBNCUVKYQNARCE-UHFFFAOYSA-N
- Formula
- C8H16OS
- SMILES
- CCCCCCC(=O)SC
- Molecular Weight1
- 160.28
- CAS
- 2432-82-8
- Other Names
-
- S-Methyl thioheptanoate
- 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° | -79.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.846 | Crippen Calculated Property | |
| McVol | 141.500 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| I | [1666.00; 1666.00] |
|
|
| I | 1666.00 | NIST | |
| I | 1666.00 | NIST | |
| Tboil | 505.09 | K | Joback Calculated Property |
| Tc | 700.77 | K | Joback Calculated Property |
| Tfus | 264.25 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.58; 377.49] | J/mol×K | [505.09; 700.77] |
|
| Cp,gas | 307.58 | J/mol×K | 505.09 | Joback Calculated Property |
| Cp,gas | 320.67 | J/mol×K | 537.70 | Joback Calculated Property |
| Cp,gas | 333.17 | J/mol×K | 570.32 | Joback Calculated Property |
| Cp,gas | 345.09 | J/mol×K | 602.93 | Joback Calculated Property |
| Cp,gas | 356.44 | J/mol×K | 635.54 | Joback Calculated Property |
| Cp,gas | 367.24 | J/mol×K | 668.15 | Joback Calculated Property |
| Cp,gas | 377.49 | J/mol×K | 700.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanethioic acid, S-methyl ester.
Sources
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