- InChI
- InChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
- InChI Key
- KBUVXRDFMQNIPD-UHFFFAOYSA-N
- Formula
- C5H8S
- SMILES
- CC1=CCCS1
- Molecular Weight1
- 100.18
- CAS
- 4610-02-0
- Other Names
-
- Thiophene,-2-methyl 4,5-dihydro-
- 2,3-Dihydro-5-methyl-thiophene
- 2-Methyl-4,5-dihydrothiophene
- 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.
- 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 | 0.1897 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.027 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Inp | [823.00; 857.00] |
|
|
| Inp | 823.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 823.00 | NIST | |
| I | [1142.00; 1156.00] |
|
|
| I | 1142.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1142.00 | NIST | |
| Tboil | 400.49 | K | Relay (1.0) Calculated Property |
| Tc | 591.39 | K | Relay (1.0) Calculated Property |
| Tfus | 181.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.284 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.47; 187.80] | J/mol×K | [385.72; 605.50] |
|
| Cp,gas | 133.47 | J/mol×K | 385.72 | Joback Calculated Property |
| Cp,gas | 144.02 | J/mol×K | 422.35 | Joback Calculated Property |
| Cp,gas | 153.93 | J/mol×K | 458.98 | Joback Calculated Property |
| Cp,gas | 163.24 | J/mol×K | 495.61 | Joback Calculated Property |
| Cp,gas | 171.96 | J/mol×K | 532.24 | Joback Calculated Property |
| Cp,gas | 180.14 | J/mol×K | 568.87 | Joback Calculated Property |
| Cp,gas | 187.80 | J/mol×K | 605.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2,3-dihydro-5-methyl-.
Sources
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