- InChI
- InChI=1S/C9H12N2O4/c1-14-6-3-5(9(13)11-10)4-7(15-2)8(6)12/h3-4,12H,10H2,1-2H3,(H,11,13)
- InChI Key
- AKZAAANGIPRVDU-UHFFFAOYSA-N
- Formula
- C9H12N2O4
- SMILES
- COc1cc(C(=O)NN)cc(OC)c1O
- Molecular Weight1
- 212.20
- CAS
- 1443-76-1
- Other Names
-
- 4-hydroxy-3,5-dimethoxybenzoic acid
- 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).
- Inp : Non-polar retention indices.
- 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° | -219.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.61 | Crippen Calculated Property | |
| logPoct/wat | 0.013 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Inp | [1773.50; 1777.00] |
|
|
| Inp | 1773.50 | NIST | |
| Inp | 1777.00 | NIST | |
| Tboil | 743.99 | K | Joback Calculated Property |
| Tc | 974.69 | K | Joback Calculated Property |
| Tfus | 584.68 | K | Joback Calculated Property |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.57; 475.67] | J/mol×K | [743.99; 974.69] |
|
| Cp,gas | 422.57 | J/mol×K | 743.99 | Joback Calculated Property |
| Cp,gas | 432.91 | J/mol×K | 782.44 | Joback Calculated Property |
| Cp,gas | 442.60 | J/mol×K | 820.89 | Joback Calculated Property |
| Cp,gas | 451.69 | J/mol×K | 859.34 | Joback Calculated Property |
| Cp,gas | 460.21 | J/mol×K | 897.79 | Joback Calculated Property |
| Cp,gas | 468.19 | J/mol×K | 936.24 | Joback Calculated Property |
| Cp,gas | 475.67 | J/mol×K | 974.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-3,5-dimethoxy-, hydrazide.
Sources
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