- InChI
- InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
- InChI Key
- WVDYBOADDMMFIY-UHFFFAOYSA-N
- Formula
- C5H10S
- SMILES
- SC1CCCC1
- Molecular Weight1
- 102.20
- CAS
- 1679-07-8
- Other Names
-
- CYCLOPENTYL MERCAPTANE
- Cyclopentyl mercaptan
- MERCAPTOCYCLOPENTANE
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.2530 | KDB | |
| ΔcH°liquid | -3909.50 ± 0.63 | kJ/mol | NIST |
| ΔfG° | 57.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.78 ± 0.75 | kJ/mol | NIST |
| ΔfH°liquid | -89.33 ± 0.75 | kJ/mol | NIST |
| ΔfusH° | 6.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.44; 41.60] | kJ/mol |
|
| ΔvapH° | 41.44 | kJ/mol | NIST |
| ΔvapH° | 41.50 | kJ/mol | NIST |
| ΔvapH° | 41.60 | kJ/mol | NIST |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 1.859 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 4275.00 | kPa | KDB |
| Inp | [829.00; 829.00] |
|
|
| Inp | 829.00 | NIST | |
| Inp | 829.00 | NIST | |
| I | [1107.00; 1111.00] |
|
|
| I | 1107.00 | NIST | |
| I | 1111.00 | NIST | |
| I | 1107.00 | NIST | |
| S°liquid | 256.86 | J/mol×K | NIST |
| Tboil | [404.70; 405.35] | K |
|
| Tboil | 405.30 | K | KDB |
| Tboil | 404.70 | K | NIST |
| Tboil | 405.33 | K | NIST |
| Tboil | 405.35 ± 0.20 | K | NIST |
| Tc | [629.00; 633.50] | K |
|
| Tc | 629.00 | K | KDB |
| Tc | 633.50 | K | NIST |
| Tfus | 155.40 | K | KDB |
| Ttriple | 155.39 ± 0.06 | K | NIST |
| Vc | 0.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.21; 216.93] | J/mol×K | [391.94; 617.90] |
|
| Cp,gas | 147.21 | J/mol×K | 391.94 | Joback Calculated Property |
| Cp,gas | 160.70 | J/mol×K | 429.60 | Joback Calculated Property |
| Cp,gas | 173.40 | J/mol×K | 467.26 | Joback Calculated Property |
| Cp,gas | 185.34 | J/mol×K | 504.92 | Joback Calculated Property |
| Cp,gas | 196.56 | J/mol×K | 542.58 | Joback Calculated Property |
| Cp,gas | 207.08 | J/mol×K | 580.24 | Joback Calculated Property |
| Cp,gas | 216.93 | J/mol×K | 617.90 | Joback Calculated Property |
| Cp,liquid | 265.23 | J/mol×K | 298.15 | NIST |
| ΔfusH | [7.83; 7.83] | kJ/mol | [155.40; 155.40] |
|
| ΔfusH | 7.83 | kJ/mol | 155.40 | NIST |
| ΔfusH | 7.83 | kJ/mol | 155.40 | NIST |
| ΔvapH | [35.30; 38.40] | kJ/mol | [361.00; 405.33] |
|
| ΔvapH | 37.90 ± 0.10 | kJ/mol | 361.00 | NIST |
| ΔvapH | 36.70 ± 0.10 | kJ/mol | 381.00 | NIST |
| ΔvapH | 38.40 | kJ/mol | 397.00 | NIST |
| ΔvapH | 38.20 | kJ/mol | 400.00 | NIST |
| ΔvapH | 35.30 ± 0.10 | kJ/mol | 405.00 | NIST |
| ΔvapH | 35.33 | kJ/mol | 405.30 | KDB |
| ΔvapH | 35.32 | kJ/mol | 405.33 | NIST |
| ρl | 960.62 | kg/m3 | 293.10 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.20 | K | 99.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.66] | kPa | [291.15; 431.80] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43087e+01 | |||
| Coefficient B | -3.40849e+03 | |||
| Coefficient C | -5.29590e+01 | |||
| Temperature range, min. | 291.15 | |||
| Temperature range, max. | 431.80 | |||
| Pvap | 1.00 | kPa | 291.15 | Calculated Property |
| Pvap | 2.41 | kPa | 306.78 | Calculated Property |
| Pvap | 5.25 | kPa | 322.41 | Calculated Property |
| Pvap | 10.51 | kPa | 338.03 | Calculated Property |
| Pvap | 19.56 | kPa | 353.66 | Calculated Property |
| Pvap | 34.25 | kPa | 369.29 | Calculated Property |
| Pvap | 56.87 | kPa | 384.92 | Calculated Property |
| Pvap | 90.24 | kPa | 400.54 | Calculated Property |
| Pvap | 137.61 | kPa | 416.17 | Calculated Property |
| Pvap | 202.66 | kPa | 431.80 | Calculated Property |
| Pvap | [15.99; 4305.76] | kPa | [348.15; 629.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.49134e+01 | |||
| Coefficient B | -7.32100e+03 | |||
| Coefficient C | -8.84182e+00 | |||
| Coefficient D | 5.23512e-06 | |||
| Temperature range, min. | 348.15 | |||
| Temperature range, max. | 629.00 | |||
| Pvap | 15.99 | kPa | 348.15 | Calculated Property |
| Pvap | 47.53 | kPa | 379.36 | Calculated Property |
| Pvap | 116.55 | kPa | 410.56 | Calculated Property |
| Pvap | 247.01 | kPa | 441.77 | Calculated Property |
| Pvap | 468.13 | kPa | 472.97 | Calculated Property |
| Pvap | 813.62 | kPa | 504.18 | Calculated Property |
| Pvap | 1321.72 | kPa | 535.38 | Calculated Property |
| Pvap | 2036.41 | kPa | 566.59 | Calculated Property |
| Pvap | 3009.80 | kPa | 597.79 | Calculated Property |
| Pvap | 4305.76 | kPa | 629.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanethiol.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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