- InChI
- InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
- InChI Key
- MTXQKSQYMREAGJ-UHFFFAOYSA-N
- Formula
- C8H10OS
- SMILES
- CSc1ccc(CO)cc1
- Molecular Weight1
- 154.23
- CAS
- 3446-90-0
- Other Names
-
- 4-(Methylthio)benzyl alcohol
- Benzenemethanol, 4-(methylthio)-
- [4-(Methylsulfanyl)phenyl]methanol
- 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 | 0.5918 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.901 | Crippen Calculated Property | |
| McVol | 122.040 | ml/mol | McGowan Calculated Property |
| Pc | 4103.88 | kPa | Joback Calculated Property |
| Inp | [1419.00; 1419.00] |
|
|
| Inp | 1419.00 | NIST | |
| Inp | 1419.00 | NIST | |
| Tboil | 539.96 | K | Relay (1.0) Calculated Property |
| Tc | 772.53 | K | Relay (1.0) Calculated Property |
| Tfus | 321.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.63; 322.60] | J/mol×K | [575.06; 792.59] |
|
| Cp,gas | 268.63 | J/mol×K | 575.06 | Joback Calculated Property |
| Cp,gas | 279.16 | J/mol×K | 611.32 | Joback Calculated Property |
| Cp,gas | 289.05 | J/mol×K | 647.57 | Joback Calculated Property |
| Cp,gas | 298.32 | J/mol×K | 683.83 | Joback Calculated Property |
| Cp,gas | 306.99 | J/mol×K | 720.08 | Joback Calculated Property |
| Cp,gas | 315.07 | J/mol×K | 756.34 | Joback Calculated Property |
| Cp,gas | 322.60 | J/mol×K | 792.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-(Methylthio)benzyl alcohol.
Sources
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