- InChI
- InChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3
- InChI Key
- MAVVDCDMBKFUES-UHFFFAOYSA-N
- Formula
- C7H10S
- SMILES
- Cc1csc(C)c1C
- Molecular Weight1
- 126.22
- CAS
- 1795-04-6
- Other Names
-
- 2,3,4-Trimethylthiophene
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Pvap : Vapor 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 | 0.3167 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 8.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 45.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 3584.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [982.00; 995.00] |
|
|
| Inp | 982.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 993.00 | NIST | |
| Tboil | 440.66 | K | Relay (1.0) Calculated Property |
| Tc | 661.13 | K | Relay (1.0) Calculated Property |
| Tfus | 249.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [332.05; 456.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60432e+01 | |||
| Coefficient B | -4.17666e+03 | |||
| Coefficient C | -6.69630e+01 | |||
| Temperature range, min. | 332.05 | |||
| Temperature range, max. | 456.15 | |||
| Pvap | 1.33 | kPa | 332.05 | Calculated Property |
| Pvap | 2.90 | kPa | 345.84 | Calculated Property |
| Pvap | 5.88 | kPa | 359.63 | Calculated Property |
| Pvap | 11.18 | kPa | 373.42 | Calculated Property |
| Pvap | 20.11 | kPa | 387.21 | Calculated Property |
| Pvap | 34.45 | kPa | 400.99 | Calculated Property |
| Pvap | 56.55 | kPa | 414.78 | Calculated Property |
| Pvap | 89.39 | kPa | 428.57 | Calculated Property |
| Pvap | 136.62 | kPa | 442.36 | Calculated Property |
| Pvap | 202.64 | kPa | 456.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2,3,4-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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