- InChI
- InChI=1S/C9H12N2O3/c1-13-6-3-4-8(14-2)7(5-6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
- InChI Key
- CSGBXTAUNHUMQE-UHFFFAOYSA-N
- Formula
- C9H12N2O3
- SMILES
- COc1ccc(OC)c(C(=O)NN)c1
- Molecular Weight1
- 196.20
- CAS
- 17894-25-6
- 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).
- 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 | 0.6912 | Relay (... Calculated Property | |
| ΔfG° | -65.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.06 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -1.87 | Relay (... Calculated Property | |
| logPoct/wat | 0.307 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Tboil | 612.12 | K | Relay (... Calculated Property |
| Tc | 841.83 | K | Relay (... Calculated Property |
| Tfus | 395.57 | K | Relay (... Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.95; 438.33] | J/mol×K | [663.37; 886.29] | 
|
| Cp,gas | 378.95 | J/mol×K | 663.37 | Joback Calculated Property |
| Cp,gas | 390.72 | J/mol×K | 700.52 | Joback Calculated Property |
| Cp,gas | 401.75 | J/mol×K | 737.68 | Joback Calculated Property |
| Cp,gas | 412.04 | J/mol×K | 774.83 | Joback Calculated Property |
| Cp,gas | 421.57 | J/mol×K | 811.99 | Joback Calculated Property |
| Cp,gas | 430.33 | J/mol×K | 849.14 | Joback Calculated Property |
| Cp,gas | 438.33 | J/mol×K | 886.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethoxybenzhydrazide.
Sources
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