- InChI
- InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
- InChI Key
- AJPGNQYBSTXCJE-UHFFFAOYSA-N
- Formula
- C5H10S
- SMILES
- CC1CCCS1
- Molecular Weight1
- 102.20
- CAS
- 1795-09-1
- Other Names
-
- 2-METHYLTHIACYCLOPENTANE
- 2-METHYLTHIOLANE
- 2-Methyltetrahydrothiophene
- 2-Methylthiophane
- TETRAHYDRO-2-METHYLTHIOPHENE
- Tetrahydrothiophene, 2-methyl-
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (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 | 0.2450 | KDB | |
| ΔcH°liquid | -3893.60 ± 0.63 | kJ/mol | NIST |
| ΔfG° | 67.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.89 ± 0.75 | kJ/mol | NIST |
| ΔfH°liquid | -105.10 ± 0.71 | kJ/mol | NIST |
| ΔfusH° | 6.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.20; 41.80] | kJ/mol |
|
| ΔvapH° | 41.30 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 41.20 | kJ/mol | NIST |
| ΔvapH° | 41.30 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 41.80 | kJ/mol | NIST |
| log10WS | -1.81 | Crippen Calculated Property | |
| logPoct/wat | 1.902 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 4300.00 | kPa | KDB |
| Inp | [822.00; 885.00] |
|
|
| Inp | 870.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 870.00 | NIST | |
| I | [1112.00; 1116.00] |
|
|
| I | 1112.00 | NIST | |
| I | 1116.00 | NIST | |
| I | 1116.00 | NIST | |
| I | 1112.00 | NIST | |
| S°liquid | 245.31 | J/mol×K | NIST |
| Tboil | 405.50 | K | KDB |
| Tc | 631.20 | K | KDB |
| Tfus | 172.00 | K | KDB |
| Ttriple | 172.39 ± 0.02 | K | NIST |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.38; 211.47] | J/mol×K | [376.91; 591.90] |
|
| Cp,gas | 144.38 | J/mol×K | 376.91 | Joback Calculated Property |
| Cp,gas | 157.24 | J/mol×K | 412.74 | Joback Calculated Property |
| Cp,gas | 169.39 | J/mol×K | 448.57 | Joback Calculated Property |
| Cp,gas | 180.86 | J/mol×K | 484.41 | Joback Calculated Property |
| Cp,gas | 191.68 | J/mol×K | 520.24 | Joback Calculated Property |
| Cp,gas | 201.87 | J/mol×K | 556.07 | Joback Calculated Property |
| Cp,gas | 211.47 | J/mol×K | 591.90 | Joback Calculated Property |
| Cp,liquid | 171.80 | J/mol×K | 298.15 | NIST |
| ΔfusH | [8.87; 8.88] | kJ/mol | [172.39; 172.40] |
|
| ΔfusH | 8.88 | kJ/mol | 172.39 | NIST |
| ΔfusH | 8.87 | kJ/mol | 172.40 | NIST |
| ΔvapH | [38.70; 40.60] | kJ/mol | [368.00; 391.00] |
|
| ΔvapH | 40.60 | kJ/mol | 368.00 | NIST |
| ΔvapH | 38.70 | kJ/mol | 376.00 | NIST |
| ΔvapH | 39.00 | kJ/mol | 391.00 | NIST |
| ρl | 950.40 | kg/m3 | 293.10 | KDB |
| ΔfusS | 51.49 | J/mol×K | 172.39 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [295.87; 438.90] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36618e+01 | |||
| Coefficient B | -3.17963e+03 | |||
| Coefficient C | -5.81240e+01 | |||
| Temperature range, min. | 295.87 | |||
| Temperature range, max. | 438.90 | |||
| Pvap | 1.33 | kPa | 295.87 | Calculated Property |
| Pvap | 3.08 | kPa | 311.76 | Calculated Property |
| Pvap | 6.45 | kPa | 327.65 | Calculated Property |
| Pvap | 12.45 | kPa | 343.55 | Calculated Property |
| Pvap | 22.40 | kPa | 359.44 | Calculated Property |
| Pvap | 38.01 | kPa | 375.33 | Calculated Property |
| Pvap | 61.32 | kPa | 391.22 | Calculated Property |
| Pvap | 94.71 | kPa | 407.12 | Calculated Property |
| Pvap | 140.85 | kPa | 423.01 | Calculated Property |
| Pvap | 202.63 | kPa | 438.90 | Calculated Property |
| Pvap | [9.33; 275.33] | kPa | [335.15; 447.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.95803e+01 | |||
| Coefficient B | -7.52444e+03 | |||
| Coefficient C | -9.55489e+00 | |||
| Coefficient D | 5.89016e-06 | |||
| Temperature range, min. | 335.15 | |||
| Temperature range, max. | 447.15 | |||
| Pvap | 9.33 | kPa | 335.15 | Calculated Property |
| Pvap | 15.47 | kPa | 347.59 | Calculated Property |
| Pvap | 24.60 | kPa | 360.04 | Calculated Property |
| Pvap | 37.71 | kPa | 372.48 | Calculated Property |
| Pvap | 55.96 | kPa | 384.93 | Calculated Property |
| Pvap | 80.65 | kPa | 397.37 | Calculated Property |
| Pvap | 113.25 | kPa | 409.82 | Calculated Property |
| Pvap | 155.38 | kPa | 422.26 | Calculated Property |
| Pvap | 208.78 | kPa | 434.71 | Calculated Property |
| Pvap | 275.33 | kPa | 447.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, tetrahydro-2-methyl-.
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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