- InChI
- InChI=1S/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3
- InChI Key
- VIVJHDGDCOQORO-UHFFFAOYSA-N
- Formula
- C7H14OS
- SMILES
- CCCC(CC=O)SC
- Molecular Weight1
- 146.25
- CAS
- 38433-74-8
- Other Names
-
- 3-(methylthio)hexanal
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.3916 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.107 | Crippen Calculated Property | |
| McVol | 127.410 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Tboil | 474.91 | K | Relay (1.0) Calculated Property |
| Tc | 658.51 | K | Relay (1.0) Calculated Property |
| Tfus | 223.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.02; 330.31] | J/mol×K | [476.56; 674.08] |
|
| Cp,gas | 266.02 | J/mol×K | 476.56 | Joback Calculated Property |
| Cp,gas | 278.06 | J/mol×K | 509.48 | Joback Calculated Property |
| Cp,gas | 289.55 | J/mol×K | 542.40 | Joback Calculated Property |
| Cp,gas | 300.51 | J/mol×K | 575.32 | Joback Calculated Property |
| Cp,gas | 310.96 | J/mol×K | 608.24 | Joback Calculated Property |
| Cp,gas | 320.89 | J/mol×K | 641.16 | Joback Calculated Property |
| Cp,gas | 330.31 | J/mol×K | 674.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, 3-(methylthio).
Sources
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