- InChI
- InChI=1S/C2H4S/c1-2-3-1/h1-2H2
- InChI Key
- VOVUARRWDCVURC-UHFFFAOYSA-N
- Formula
- C2H4S
- SMILES
- C1CS1
- Molecular Weight1
- 60.12
- CAS
- 420-12-2
- Other Names
-
- 2,3-Dihydrothiirene
- ETHYLENE EPISULFIDE
- ETHYLENE SULFIDE
- Ethylene episulphide
- Ethylene sulphide
- NSC 89690
- THIIRENE
- Thiacyclopropane
- Thiirene, 2,3-dihydro-
- epithioethane
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.1540 | KDB | |
| PAff | 807.40 | kJ/mol | NIST |
| BasG | 777.60 | kJ/mol | NIST |
| ΔcH°liquid | -2012.60 | kJ/mol | NIST |
| ΔfG° | 74.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.30 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | 52.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 1.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [30.30; 30.30] | kJ/mol |
|
| ΔvapH° | 30.30 | kJ/mol | NIST |
| ΔvapH° | 30.30 ± 0.20 | kJ/mol | NIST |
| IE | [8.87; 9.05] | eV |
|
| IE | 9.05 | eV | NIST |
| IE | 9.04 ± 0.01 | eV | NIST |
| IE | 8.90 ± 0.10 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 9.00 | eV | NIST |
| IE | 9.05 ± 0.01 | eV | NIST |
| IE | 8.87 ± 0.15 | eV | NIST |
| IE | 9.00 | eV | NIST |
| IE | 9.05 | eV | NIST |
| log10WS | -0.44 | Crippen Calculated Property | |
| logPoct/wat | 0.733 | Crippen Calculated Property | |
| McVol | 44.530 | ml/mol | McGowan Calculated Property |
| Pc | 7380.00 | kPa | KDB |
| Inp | [588.00; 606.00] |
|
|
| Inp | 606.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 589.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 606.00 | NIST | |
| I | 899.00 | NIST | |
| Tboil | [328.10; 329.00] | K |
|
| Tboil | 328.10 | K | KDB |
| Tboil | 328.70 | K | NIST |
| Tboil | 328.90 ± 0.50 | K | NIST |
| Tboil | 329.00 ± 3.00 | K | NIST |
| Tc | 555.00 | K | KDB |
| Tfus | 165.00 | K | KDB |
| Vc | 0.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [53.14; 83.71] | J/mol×K | [304.40; 503.43] |
|
| Cp,gas | 53.14 | J/mol×K | 304.40 | Joback Calculated Property |
| Cp,gas | 59.39 | J/mol×K | 337.57 | Joback Calculated Property |
| Cp,gas | 65.13 | J/mol×K | 370.74 | Joback Calculated Property |
| Cp,gas | 70.39 | J/mol×K | 403.91 | Joback Calculated Property |
| Cp,gas | 75.23 | J/mol×K | 437.09 | Joback Calculated Property |
| Cp,gas | 79.65 | J/mol×K | 470.26 | Joback Calculated Property |
| Cp,gas | 83.71 | J/mol×K | 503.43 | Joback Calculated Property |
| ΔvapH | [29.20; 30.50] | kJ/mol | [326.00; 328.10] |
|
| ΔvapH | 30.50 | kJ/mol | 326.00 | NIST |
| ΔvapH | 29.20 | kJ/mol | 328.10 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [238.59; 351.13] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43596e+01 | |||
| Coefficient B | -2.85218e+03 | |||
| Coefficient C | -3.59060e+01 | |||
| Temperature range, min. | 238.59 | |||
| Temperature range, max. | 351.13 | |||
| Pvap | 1.33 | kPa | 238.59 | Calculated Property |
| Pvap | 3.02 | kPa | 251.09 | Calculated Property |
| Pvap | 6.25 | kPa | 263.60 | Calculated Property |
| Pvap | 12.00 | kPa | 276.10 | Calculated Property |
| Pvap | 21.60 | kPa | 288.61 | Calculated Property |
| Pvap | 36.78 | kPa | 301.11 | Calculated Property |
| Pvap | 59.69 | kPa | 313.62 | Calculated Property |
| Pvap | 92.92 | kPa | 326.12 | Calculated Property |
| Pvap | 139.45 | kPa | 338.63 | Calculated Property |
| Pvap | 202.65 | kPa | 351.13 | Calculated Property |
| Pvap | [1.30; 7416.79] | kPa | [238.15; 555.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.49904e+01 | |||
| Coefficient B | -5.61461e+03 | |||
| Coefficient C | -7.58624e+00 | |||
| Coefficient D | 6.41076e-06 | |||
| Temperature range, min. | 238.15 | |||
| Temperature range, max. | 555.00 | |||
| Pvap | 1.30 | kPa | 238.15 | Calculated Property |
| Pvap | 10.65 | kPa | 273.36 | Calculated Property |
| Pvap | 50.45 | kPa | 308.56 | Calculated Property |
| Pvap | 166.01 | kPa | 343.77 | Calculated Property |
| Pvap | 425.29 | kPa | 378.97 | Calculated Property |
| Pvap | 913.43 | kPa | 414.18 | Calculated Property |
| Pvap | 1728.87 | kPa | 449.38 | Calculated Property |
| Pvap | 2985.50 | kPa | 484.59 | Calculated Property |
| Pvap | 4821.81 | kPa | 519.79 | Calculated Property |
| Pvap | 7416.79 | kPa | 555.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiirane.
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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