- InChI
- InChI=1S/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
- InChI Key
- GJRCLMJHPWCJEI-UHFFFAOYSA-N
- Formula
- C9H20S2
- SMILES
- SCCCCCCCCCS
- Molecular Weight1
- 192.38
- CAS
- 3489-28-9
- Other Names
-
- 1,9-Dimercaptononane
- nonane-1,9-dithiol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 83.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.577 | Crippen Calculated Property | |
| McVol | 170.370 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Tboil | 531.04 | K | Joback Calculated Property |
| Tc | 734.45 | K | Joback Calculated Property |
| Tfus | 264.11 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.59; 462.34] | J/mol×K | [531.04; 734.45] | 
|
| Cp,gas | 381.59 | J/mol×K | 531.04 | Joback Calculated Property |
| Cp,gas | 396.85 | J/mol×K | 564.94 | Joback Calculated Property |
| Cp,gas | 411.36 | J/mol×K | 598.84 | Joback Calculated Property |
| Cp,gas | 425.14 | J/mol×K | 632.74 | Joback Calculated Property |
| Cp,gas | 438.21 | J/mol×K | 666.64 | Joback Calculated Property |
| Cp,gas | 450.60 | J/mol×K | 700.55 | Joback Calculated Property |
| Cp,gas | 462.34 | J/mol×K | 734.45 | Joback Calculated Property |
| ΔvapH | 63.60 | kJ/mol | 487.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [418.00; 610.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37297e+01 | |||
| Coefficient B | -4.33942e+03 | |||
| Coefficient C | -9.52940e+01 | |||
| Temperature range, min. | 418.00 | |||
| Temperature range, max. | 610.77 | |||
| Pvap | 1.33 | kPa | 418.00 | Calculated Property |
| Pvap | 3.06 | kPa | 439.42 | Calculated Property |
| Pvap | 6.41 | kPa | 460.84 | Calculated Property |
| Pvap | 12.37 | kPa | 482.26 | Calculated Property |
| Pvap | 22.28 | kPa | 503.68 | Calculated Property |
| Pvap | 37.84 | kPa | 525.09 | Calculated Property |
| Pvap | 61.11 | kPa | 546.51 | Calculated Property |
| Pvap | 94.48 | kPa | 567.93 | Calculated Property |
| Pvap | 140.68 | kPa | 589.35 | Calculated Property |
| Pvap | 202.64 | kPa | 610.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,9-Nonanedithiol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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