- InChI
- InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)
- InChI Key
- UENRXLSRMCSUSN-UHFFFAOYSA-N
- Formula
- C7H8N2O2
- SMILES
- Nc1cc(N)cc(C(=O)O)c1
- Molecular Weight1
- 152.15
- 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 | 0.8223 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.549 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 5205.63 | kPa | Joback Calculated Property |
| Tboil | 607.61 | K | Relay (1.0) Calculated Property |
| Tc | 906.41 | K | Relay (1.0) Calculated Property |
| Tfus | 538.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.79; 330.85] | J/mol×K | [686.97; 935.59] | 
|
| Cp,gas | 288.79 | J/mol×K | 686.97 | Joback Calculated Property |
| Cp,gas | 297.38 | J/mol×K | 728.41 | Joback Calculated Property |
| Cp,gas | 305.28 | J/mol×K | 769.84 | Joback Calculated Property |
| Cp,gas | 312.53 | J/mol×K | 811.28 | Joback Calculated Property |
| Cp,gas | 319.19 | J/mol×K | 852.72 | Joback Calculated Property |
| Cp,gas | 325.28 | J/mol×K | 894.15 | Joback Calculated Property |
| Cp,gas | 330.85 | J/mol×K | 935.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-diaminobenzoic acid.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of 3,5-Dimethoxybenzoic Acid, 4-Cyanobenzoic Acid, 4-Acetoxybenzoic Acid, 3,5-Diaminobenzoic Acid, and 2,4-Dichlorobenzoic Acid in Ethanol
- Joback Method
- McGowan Method
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