- InChI
- InChI=1S/C19H40S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21-3)18-20-2/h19H,4-18H2,1-3H3
- InChI Key
- YPTGIARQRQFJIY-UHFFFAOYSA-N
- Formula
- C19H40S2
- SMILES
- CCCCCCCCCCCCCCCC(CSC)SC
- Molecular Weight1
- 332.66
- 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 | 0.8027 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.562 | Crippen Calculated Property | |
| McVol | 311.270 | ml/mol | McGowan Calculated Property |
| Pc | 1111.11 | kPa | Joback Calculated Property |
| Inp | [2477.00; 2477.00] |
|
|
| Inp | 2477.00 | NIST | |
| Inp | 2477.00 | NIST | |
| Tboil | 620.63 | K | Relay (1.0) Calculated Property |
| Tc | 809.46 | K | Relay (1.0) Calculated Property |
| Tfus | 292.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.154 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.23; 1053.27] | 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 | 2.31350e+01 | |||
| Coefficient B | 1.80354e+00 | |||
| Coefficient C | -9.32600e-04 | |||
| Coefficient D | 1.59200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 449.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 551.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 643.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 800.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 866.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 923.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 973.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1016.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1053.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecane, 1,2-bis(methylthio).
Sources
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