- InChI
- InChI=1S/C12H12N2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2
- InChI Key
- MERLDGDYUMSLAY-UHFFFAOYSA-N
- Formula
- C12H12N2S2
- SMILES
- Nc1ccc(SSc2ccc(N)cc2)cc1
- Molecular Weight1
- 248.37
- CAS
- 722-27-0
- Other Names
-
- 4-Aminophenyldisulfide
- p-p'-Dithiodianiline
- 4,4'-Diaminodiphenyl disulfide
- Benzenamine, 4,4'-dithiobis-
- Aniline, p,p'-dithiodi-
- 4,4'-Dithiodianiline
- 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° | 454.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 310.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.650 | Crippen Calculated Property | |
| McVol | 185.080 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 819.90 | K | Joback Calculated Property |
| Tc | 1116.63 | K | Joback Calculated Property |
| Tfus | 538.20 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.05; 534.57] | J/mol×K | [819.90; 1116.63] | 
|
| Cp,gas | 484.05 | J/mol×K | 819.90 | Joback Calculated Property |
| Cp,gas | 495.95 | J/mol×K | 869.35 | Joback Calculated Property |
| Cp,gas | 506.36 | J/mol×K | 918.81 | Joback Calculated Property |
| Cp,gas | 515.35 | J/mol×K | 968.26 | Joback Calculated Property |
| Cp,gas | 523.00 | J/mol×K | 1017.72 | Joback Calculated Property |
| Cp,gas | 529.38 | J/mol×K | 1067.17 | Joback Calculated Property |
| Cp,gas | 534.57 | J/mol×K | 1116.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Diaminodiphenyl disulphide.
Sources
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