- InChI
- InChI=1S/C7H14OS/c1-2-3-4-7(9)5-6-8/h6-7,9H,2-5H2,1H3
- InChI Key
- IIEVDYNDUAHALL-UHFFFAOYSA-N
- Formula
- C7H14OS
- SMILES
- CCCCC(S)CC=O
- Molecular Weight1
- 146.25
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4758 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.064 | Crippen Calculated Property | |
| McVol | 127.410 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | [1113.00; 1118.00] |
|
|
| Inp | 1113.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1118.00 | NIST | |
| I | [1659.00; 1665.00] |
|
|
| I | 1665.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1659.00 | NIST | |
| Tboil | 463.73 | K | Relay (1.0) Calculated Property |
| Tc | 667.73 | K | Relay (1.0) Calculated Property |
| Tfus | 210.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.16; 327.90] | J/mol×K | [470.64; 668.23] |
|
| Cp,gas | 264.16 | J/mol×K | 470.64 | Joback Calculated Property |
| Cp,gas | 276.15 | J/mol×K | 503.57 | Joback Calculated Property |
| Cp,gas | 287.57 | J/mol×K | 536.50 | Joback Calculated Property |
| Cp,gas | 298.44 | J/mol×K | 569.43 | Joback Calculated Property |
| Cp,gas | 308.78 | J/mol×K | 602.36 | Joback Calculated Property |
| Cp,gas | 318.59 | J/mol×K | 635.29 | Joback Calculated Property |
| Cp,gas | 327.90 | J/mol×K | 668.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanylheptanal.
Sources
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