- InChI
- InChI=1S/C8H10N2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,9-10H2,1H3
- InChI Key
- IOPLHGOSNCJOOO-UHFFFAOYSA-N
- Formula
- C8H10N2O2
- SMILES
- COC(=O)c1ccc(N)c(N)c1
- Molecular Weight1
- 166.18
- CAS
- 36692-49-6
- 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 | 0.6681 | Relay (... Calculated Property | |
| ΔfG° | 8.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.93 | kJ/mol | Relay (... Calculated Property |
| IE | 7.75 | eV | Relay (... Calculated Property |
| log10WS | -2.14 | Relay (... Calculated Property | |
| logPoct/wat | 0.638 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Tboil | 583.81 | K | Relay (... Calculated Property |
| Tc | 816.98 | K | Relay (... Calculated Property |
| Tfus | 449.80 | K | Relay (... Calculated Property |
| Vc | 0.450 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.21; 369.21] | J/mol×K | [640.43; 879.35] | 
|
| Cp,gas | 315.21 | J/mol×K | 640.43 | Joback Calculated Property |
| Cp,gas | 326.00 | J/mol×K | 680.25 | Joback Calculated Property |
| Cp,gas | 336.07 | J/mol×K | 720.07 | Joback Calculated Property |
| Cp,gas | 345.42 | J/mol×K | 759.89 | Joback Calculated Property |
| Cp,gas | 354.05 | J/mol×K | 799.71 | Joback Calculated Property |
| Cp,gas | 361.98 | J/mol×K | 839.53 | Joback Calculated Property |
| Cp,gas | 369.21 | J/mol×K | 879.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,4-diaminobenzoate.
Sources
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