- InChI
- InChI=1S/C9H20S/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
- InChI Key
- UOMSUBPWUZCGQU-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCCCCCCC(C)S
- Molecular Weight1
- 160.32
- CAS
- 13281-11-3
- Other Names
-
- Sec-nonyl Mercaptan
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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).
- VCOSTALD : COSTALD Characteristic Volume (m3/kmol).
- ωSRK : SRK acentric factor.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5064 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.665 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Tboil | 467.83 | K | Relay (1.0) Calculated Property |
| Tc | 658.98 | K | Relay (1.0) Calculated Property |
| Tfus | 204.20 ± 0.30 | K | NIST |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
| VCOSTALD | 0.63 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.50 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zra | 0.26 | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 50.30 | kJ/mol | 430.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.87; 509.56] | 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 | 7.91600e+00 | |||
| Coefficient B | 8.92040e-01 | |||
| Coefficient C | -4.91400e-04 | |||
| Coefficient D | 1.01000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 386.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 417.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 445.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 469.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 491.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 509.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [365.48; 519.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47692e+01 | |||
| Coefficient B | -4.20713e+03 | |||
| Coefficient C | -7.49650e+01 | |||
| Temperature range, min. | 365.48 | |||
| Temperature range, max. | 519.80 | |||
| Pvap | 1.33 | kPa | 365.48 | Calculated Property |
| Pvap | 2.99 | kPa | 382.63 | Calculated Property |
| Pvap | 6.15 | kPa | 399.77 | Calculated Property |
| Pvap | 11.78 | kPa | 416.92 | Calculated Property |
| Pvap | 21.19 | kPa | 434.07 | Calculated Property |
| Pvap | 36.14 | kPa | 451.21 | Calculated Property |
| Pvap | 58.84 | kPa | 468.36 | Calculated Property |
| Pvap | 91.97 | kPa | 485.51 | Calculated Property |
| Pvap | 138.70 | kPa | 502.65 | Calculated Property |
| Pvap | 202.65 | kPa | 519.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-nonanethiol.
Sources
- Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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