- InChI
- InChI=1S/C9H12S/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3
- InChI Key
- CNEKIVLPGGFVJY-UHFFFAOYSA-N
- Formula
- C9H12S
- SMILES
- CSc1ccc(C)cc1C
- Molecular Weight1
- 152.26
- CAS
- 34678-67-6
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 151.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 3.025 | Crippen Calculated Property | |
| McVol | 130.260 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 510.74 | K | Joback Calculated Property |
| Tc | 743.84 | K | Joback Calculated Property |
| Tfus | 277.05 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.39; 336.02] | J/mol×K | [510.74; 743.84] | 
|
| Cp,gas | 265.39 | J/mol×K | 510.74 | Joback Calculated Property |
| Cp,gas | 279.00 | J/mol×K | 549.59 | Joback Calculated Property |
| Cp,gas | 291.85 | J/mol×K | 588.44 | Joback Calculated Property |
| Cp,gas | 303.97 | J/mol×K | 627.29 | Joback Calculated Property |
| Cp,gas | 315.36 | J/mol×K | 666.14 | Joback Calculated Property |
| Cp,gas | 326.04 | J/mol×K | 704.99 | Joback Calculated Property |
| Cp,gas | 336.02 | J/mol×K | 743.84 | Joback Calculated Property |
Similar Compounds
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Sources
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