- InChI
- InChI=1S/C13H12S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
- InChI Key
- ORKZATPRQQSLDT-UHFFFAOYSA-N
- Formula
- C13H12S
- SMILES
- SC(c1ccccc1)c1ccccc1
- Molecular Weight1
- 200.30
- CAS
- 4237-48-3
- Other Names
-
- Diphenylmethanethiol
- 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 | 0.4244 | Relay (1.0) Calculated Property | |
| ΔfG° | 310.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 190.00 | kJ/mol | NIST |
| ΔfusH° | 18.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.706 | Crippen Calculated Property | |
| McVol | 162.860 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Tboil | 549.44 | K | Relay (1.0) Calculated Property |
| Tc | 840.64 | K | Relay (1.0) Calculated Property |
| Tfus | 304.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.43; 456.60] | J/mol×K | [612.62; 884.50] | 
|
| Cp,gas | 375.43 | J/mol×K | 612.62 | Joback Calculated Property |
| Cp,gas | 392.47 | J/mol×K | 657.93 | Joback Calculated Property |
| Cp,gas | 407.95 | J/mol×K | 703.25 | Joback Calculated Property |
| Cp,gas | 421.99 | J/mol×K | 748.56 | Joback Calculated Property |
| Cp,gas | 434.70 | J/mol×K | 793.87 | Joback Calculated Property |
| Cp,gas | 446.21 | J/mol×K | 839.18 | Joback Calculated Property |
| Cp,gas | 456.60 | J/mol×K | 884.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanethiol, «alpha»-phenyl-.
Sources
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