- InChI
- InChI=1S/C7H7NOS/c1-6-2-4-7(5-3-6)8-10-9/h2-5H,1H3
- InChI Key
- KLHMRBYLBVCGDT-UHFFFAOYSA-N
- Formula
- C7H7NOS
- SMILES
- Cc1ccc(N=S=O)cc1
- Molecular Weight1
- 153.20
- CAS
- 15795-42-3
- Other Names
-
- p-Toluidine, N-sulfinyl-
- p-Methyl-N-sulfinylaniline
- p-Tolylsulfinylamine
- N-Sulfinyl-p-toluidine
- Thionyl-p-toluidine
- 4-Methyl-N-sulfinylaniline
- 4-Methylsulfinylaniline
- 4-Methyl-N-sulfinylbenzenamine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4583 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 22.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | NIST |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.023 | Crippen Calculated Property | |
| McVol | 113.630 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 482.13 | K | Relay (1.0) Calculated Property |
| Tc | 726.55 | K | Relay (1.0) Calculated Property |
| Tfus | 312.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-methyl-N-sulfinyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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