- InChI
- InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
- InChI Key
- KMSNYNIWEORQDJ-UHFFFAOYSA-N
- Formula
- C4H6OS
- SMILES
- O=C1CCCS1
- Molecular Weight1
- 102.16
- CAS
- 1003-10-7
- Other Names
-
- «gamma»-Thiobutyrolactone
- 4-Butyrothiolactone
- 2(3H)-Thiophenone, dihydro-
- 2-Thiophenone, tetrahydro-
- 2-Oxothiolane
- Tetrahydro-2-thiophenone
- Thiacyclopentan-2-one
- Thiacyclopentanone-2
- 4-Thiobutyrolactone
- Thiolan-2-one
- 2-Oxotetrahydrothiophene
- NSC 54087
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.2876 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2800.00 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -55.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.20 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 2.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.20 ± 0.80 | kJ/mol | NIST |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.040 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 5406.57 | kPa | Joback Calculated Property |
| Inp | 952.00 | NIST | |
| I | [1615.00; 1615.00] |
|
|
| I | 1615.00 | NIST | |
| I | 1615.00 | NIST | |
| Tboil | 462.21 | K | Relay (1.0) Calculated Property |
| Tc | 699.95 | K | Relay (1.0) Calculated Property |
| Tfus | 250.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.251 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.08; 182.78] | J/mol×K | [426.52; 667.95] |
|
| Cp,gas | 129.08 | J/mol×K | 426.52 | Joback Calculated Property |
| Cp,gas | 139.26 | J/mol×K | 466.76 | Joback Calculated Property |
| Cp,gas | 148.95 | J/mol×K | 507.00 | Joback Calculated Property |
| Cp,gas | 158.14 | J/mol×K | 547.23 | Joback Calculated Property |
| Cp,gas | 166.85 | J/mol×K | 587.47 | Joback Calculated Property |
| Cp,gas | 175.06 | J/mol×K | 627.71 | Joback Calculated Property |
| Cp,gas | 182.78 | J/mol×K | 667.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 312.70 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Dihydro-2(3H)-thiophenone.
Sources
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