- InChI
- InChI=1S/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3
- InChI Key
- GTDLILFCRHJTRW-UHFFFAOYSA-N
- Formula
- C7H16OS
- SMILES
- CCCC(S)CCOC
- Molecular Weight1
- 148.27
- CAS
- 94291-50-6
- Other Names
-
- (+/-)-1-Methoxyheptane-3-thiol
- 1-methoxyhexane-3-thiol
- 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).
- Inp : Non-polar retention indices.
- 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° | -69.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [1041.00; 1140.00] |
|
|
| Inp | 1140.00 | NIST | |
| Inp | 1041.00 | NIST | |
| I | [1360.00; 1458.00] |
|
|
| I | 1458.00 | NIST | |
| I | 1360.00 | NIST | |
| Tboil | 444.40 | K | Joback Calculated Property |
| Tc | 635.25 | K | Joback Calculated Property |
| Tfus | 212.34 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.46; 337.20] | J/mol×K | [444.40; 635.25] |
|
| Cp,gas | 267.46 | J/mol×K | 444.40 | Joback Calculated Property |
| Cp,gas | 280.28 | J/mol×K | 476.21 | Joback Calculated Property |
| Cp,gas | 292.62 | J/mol×K | 508.02 | Joback Calculated Property |
| Cp,gas | 304.47 | J/mol×K | 539.82 | Joback Calculated Property |
| Cp,gas | 315.85 | J/mol×K | 571.63 | Joback Calculated Property |
| Cp,gas | 326.76 | J/mol×K | 603.44 | Joback Calculated Property |
| Cp,gas | 337.20 | J/mol×K | 635.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexane-3-thiol, 1-methoxy.
Sources
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