- InChI
- InChI=1S/C5H8OS/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3
- InChI Key
- GYAWKNURSWKRNU-UHFFFAOYSA-N
- Formula
- C5H8OS
- SMILES
- CC1CC(=O)CS1
- Molecular Weight1
- 116.18
- Other Names
-
- 5-methyltetrahydrothiophen-3-one
- 4,5-dihydro-5-methylthiophen-3(2H)-one
- Dihydro-5-methyl-3(2H)-thiophenone
- 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).
- 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.
- 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 | 0.3186 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.081 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 4510.35 | kPa | Joback Calculated Property |
| Inp | [978.00; 1015.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Tboil | 449.57 | K | Relay (1.0) Calculated Property |
| Tc | 681.99 | K | Relay (1.0) Calculated Property |
| Tfus | 302.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.02; 232.43] | J/mol×K | [444.73; 682.05] |
|
| Cp,gas | 168.02 | J/mol×K | 444.73 | Joback Calculated Property |
| Cp,gas | 180.14 | J/mol×K | 484.28 | Joback Calculated Property |
| Cp,gas | 191.71 | J/mol×K | 523.84 | Joback Calculated Property |
| Cp,gas | 202.73 | J/mol×K | 563.39 | Joback Calculated Property |
| Cp,gas | 213.20 | J/mol×K | 602.94 | Joback Calculated Property |
| Cp,gas | 223.10 | J/mol×K | 642.49 | Joback Calculated Property |
| Cp,gas | 232.43 | J/mol×K | 682.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dihydro-5-methyl-3(2H)-thiophenone.
Sources
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