- InChI
- InChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
- InChI Key
- AZEXBWWYRSXTTN-UHFFFAOYSA-N
- Formula
- C13H12N2O2
- SMILES
- NNC(=O)c1cccc(Oc2ccccc2)c1
- Molecular Weight1
- 228.25
- CAS
- 206761-84-4
- 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° | 195.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 173.910 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Tboil | 754.17 | K | Joback Calculated Property |
| Tc | 1004.68 | K | Joback Calculated Property |
| Tfus | 509.71 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.43; 531.08] | J/mol×K | [754.17; 1004.68] | 
|
| Cp,gas | 471.43 | J/mol×K | 754.17 | Joback Calculated Property |
| Cp,gas | 484.12 | J/mol×K | 795.92 | Joback Calculated Property |
| Cp,gas | 495.64 | J/mol×K | 837.67 | Joback Calculated Property |
| Cp,gas | 506.04 | J/mol×K | 879.43 | Joback Calculated Property |
| Cp,gas | 515.38 | J/mol×K | 921.18 | Joback Calculated Property |
| Cp,gas | 523.71 | J/mol×K | 962.93 | Joback Calculated Property |
| Cp,gas | 531.08 | J/mol×K | 1004.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenoxybenzhydrazide.
Sources
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