- InChI
- InChI=1S/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11)
- InChI Key
- RAXBGBHBUFGWPG-UHFFFAOYSA-N
- Formula
- C8H8N2O3
- SMILES
- NNC(=O)c1ccc2c(c1)OCO2
- Molecular Weight1
- 180.16
- CAS
- 22026-39-7
- Other Names
-
- 1,3-Benzodioxole-5-carbohydrazide
- 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° | 32.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.07 | kJ/mol | Joback Calculated Property |
| log10WS | -0.60 | Aq. Sol... | |
| logPoct/wat | 0.019 | Crippen Calculated Property | |
| McVol | 122.230 | ml/mol | McGowan Calculated Property |
| Pc | 5051.40 | kPa | Joback Calculated Property |
| Tboil | 660.96 | K | Joback Calculated Property |
| Tc | 904.67 | K | Joback Calculated Property |
| Tfus | 492.55 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.07; 367.68] | J/mol×K | [660.96; 904.67] | 
|
| Cp,gas | 319.07 | J/mol×K | 660.96 | Joback Calculated Property |
| Cp,gas | 328.96 | J/mol×K | 701.58 | Joback Calculated Property |
| Cp,gas | 338.03 | J/mol×K | 742.20 | Joback Calculated Property |
| Cp,gas | 346.37 | J/mol×K | 782.82 | Joback Calculated Property |
| Cp,gas | 354.04 | J/mol×K | 823.44 | Joback Calculated Property |
| Cp,gas | 361.12 | J/mol×K | 864.06 | Joback Calculated Property |
| Cp,gas | 367.68 | J/mol×K | 904.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Methylenedioxybenzhydrazide.
Sources
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