- InChI
- InChI=1S/C8H10S/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
- InChI Key
- BHWJMPDCCDMCKC-UHFFFAOYSA-N
- Formula
- C8H10S
- SMILES
- CSc1ccccc1C
- Molecular Weight1
- 138.23
- CAS
- 14092-00-3
- Other Names
-
- Sulfide, methyl o-tolyl
- o-Cresyl methyl sulfide
- Methyl o-tolyl sulfide
- 2-Methyl-(1-thiaethyl)benzene
- 2-Methylbenzenethiol, S-methyl-
- methyl 2-methylphenyl sulfide
- 1-Methyl-2-(methylsulfanyl)benzene
- 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 | 0.3026 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 60.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.717 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Inp | [1209.00; 1210.10] |
|
|
| Inp | 1209.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1210.10 | NIST | |
| Inp | 1209.00 | NIST | |
| Tboil | 479.56 | K | Relay (1.0) Calculated Property |
| Tc | 686.94 | K | Relay (1.0) Calculated Property |
| Tfus | 243.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.13; 289.08] | J/mol×K | [482.88; 718.95] |
|
| Cp,gas | 223.13 | J/mol×K | 482.88 | Joback Calculated Property |
| Cp,gas | 235.96 | J/mol×K | 522.23 | Joback Calculated Property |
| Cp,gas | 248.02 | J/mol×K | 561.57 | Joback Calculated Property |
| Cp,gas | 259.35 | J/mol×K | 600.92 | Joback Calculated Property |
| Cp,gas | 269.95 | J/mol×K | 640.26 | Joback Calculated Property |
| Cp,gas | 279.85 | J/mol×K | 679.61 | Joback Calculated Property |
| Cp,gas | 289.08 | J/mol×K | 718.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-2-(methylthio)-.
Sources
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