- InChI
- InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-8H,1H3/b8-2+
- InChI Key
- QAKDINZUNLASCF-KRXBUXKQSA-N
- Formula
- C9H10S
- SMILES
- CC=CSc1ccccc1
- Molecular Weight1
- 150.24
- CAS
- 15436-04-1
- 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).
- 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 | 0.2571 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 150.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.312 | Crippen Calculated Property | |
| McVol | 125.960 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Tboil | 491.27 | K | Relay (1.0) Calculated Property |
| Tc | 680.57 | K | Relay (1.0) Calculated Property |
| Tfus | 255.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.64; 316.79] | J/mol×K | [504.94; 747.08] | 
|
| Cp,gas | 247.64 | J/mol×K | 504.94 | Joback Calculated Property |
| Cp,gas | 261.50 | J/mol×K | 545.30 | Joback Calculated Property |
| Cp,gas | 274.35 | J/mol×K | 585.65 | Joback Calculated Property |
| Cp,gas | 286.25 | J/mol×K | 626.01 | Joback Calculated Property |
| Cp,gas | 297.25 | J/mol×K | 666.37 | Joback Calculated Property |
| Cp,gas | 307.41 | J/mol×K | 706.73 | Joback Calculated Property |
| Cp,gas | 316.79 | J/mol×K | 747.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E) Phenyl-1-propenylsulfide.
Sources
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