- InChI
- InChI=1S/C19H40S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h3-19H2,1-2H3
- InChI Key
- BNORDZYQJMGMRG-UHFFFAOYSA-N
- Formula
- C19H40S
- SMILES
- CCCCCCCCCCCCCCCCCCSC
- Molecular Weight1
- 300.59
- CAS
- 40289-98-3
- 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).
- 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 | 0.8359 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.611 | Crippen Calculated Property | |
| McVol | 294.920 | ml/mol | McGowan Calculated Property |
| Pc | 1092.82 | kPa | Joback Calculated Property |
| Tboil | 600.59 | K | Relay (1.0) Calculated Property |
| Tc | 782.16 | K | Relay (1.0) Calculated Property |
| Tfus | 318.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.165 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.70; 966.86] | J/mol×K | [702.90; 876.28] | 
|
| Cp,gas | 858.70 | J/mol×K | 702.90 | Joback Calculated Property |
| Cp,gas | 878.97 | J/mol×K | 731.80 | Joback Calculated Property |
| Cp,gas | 898.30 | J/mol×K | 760.69 | Joback Calculated Property |
| Cp,gas | 916.73 | J/mol×K | 789.59 | Joback Calculated Property |
| Cp,gas | 934.28 | J/mol×K | 818.49 | Joback Calculated Property |
| Cp,gas | 950.98 | J/mol×K | 847.38 | Joback Calculated Property |
| Cp,gas | 966.86 | J/mol×K | 876.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 1-(methylthio)-.
Sources
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