- InChI
- InChI=1S/C13H14N2O2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7,16-17H,5,14-15H2
- InChI Key
- KCFVSHSJPIVGCG-UHFFFAOYSA-N
- Formula
- C13H14N2O2
- SMILES
- Nc1cc(Cc2ccc(O)c(N)c2)ccc1O
- Molecular Weight1
- 230.26
- CAS
- 16523-28-7
- 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).
- ΔfH°solid : Solid phase 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° | 87.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.57 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -335.00 | kJ/mol | NIST |
| ΔfusH° | 38.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 1.853 | Crippen Calculated Property | |
| McVol | 178.210 | ml/mol | McGowan Calculated Property |
| Pc | 4945.39 | kPa | Joback Calculated Property |
| Tboil | 866.46 | K | Joback Calculated Property |
| Tc | 1135.62 | K | Joback Calculated Property |
| Tfus | 704.11 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.97; 603.13] | J/mol×K | [866.46; 1135.62] | 
|
| Cp,gas | 527.97 | J/mol×K | 866.46 | Joback Calculated Property |
| Cp,gas | 540.00 | J/mol×K | 911.32 | Joback Calculated Property |
| Cp,gas | 551.91 | J/mol×K | 956.18 | Joback Calculated Property |
| Cp,gas | 563.94 | J/mol×K | 1001.04 | Joback Calculated Property |
| Cp,gas | 576.34 | J/mol×K | 1045.90 | Joback Calculated Property |
| Cp,gas | 589.32 | J/mol×K | 1090.76 | Joback Calculated Property |
| Cp,gas | 603.13 | J/mol×K | 1135.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-Diamino-4,4'-dihydroxydiphenylmethane.
Sources
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