- InChI
- InChI=1S/C8H10N2O2/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,9-10H2,1H3,(H,11,12)
- InChI Key
- RKBQPUFPJRCJKE-UHFFFAOYSA-N
- Formula
- C8H10N2O2
- SMILES
- Cc1c(N)cc(N)cc1C(=O)O
- Molecular Weight1
- 166.18
- CAS
- 90007-30-0
- 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 | 0.8320 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.858 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Tboil | 603.59 | K | Relay (1.0) Calculated Property |
| Tc | 905.25 | K | Relay (1.0) Calculated Property |
| Tfus | 509.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.41; 375.47] | J/mol×K | [715.17; 938.54] | 
|
| Cp,gas | 332.41 | J/mol×K | 715.17 | Joback Calculated Property |
| Cp,gas | 340.98 | J/mol×K | 752.40 | Joback Calculated Property |
| Cp,gas | 348.97 | J/mol×K | 789.63 | Joback Calculated Property |
| Cp,gas | 356.40 | J/mol×K | 826.85 | Joback Calculated Property |
| Cp,gas | 363.28 | J/mol×K | 864.08 | Joback Calculated Property |
| Cp,gas | 369.63 | J/mol×K | 901.31 | Joback Calculated Property |
| Cp,gas | 375.47 | J/mol×K | 938.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Diamino-2-methylbenzoic acid.
Sources
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