- 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
- 300.60
- 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° | 110.52 | 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 | 784.46 | K | Relay (1.0) Calculated Property |
| Tfus | 314.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.166 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.05; 1026.15] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.21700e+00 | |||
| Coefficient B | 1.80323e+00 | |||
| Coefficient C | -9.69600e-04 | |||
| Coefficient D | 1.87300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 429.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 530.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 621.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 702.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 775.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 839.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 896.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 945.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 988.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1026.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 1-(methylthio)-.
Sources
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